SCHEMBL1753696

SCHEMBL1753696

CC(C)(C)CCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
CYP3A4 P08684 3/20 0.61
HTR2C P28335 2/20 0.61
HTR6 P50406 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP1A2 P05177 2/20 0.61
MPO P05164 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61
HTR7 P34969 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
HTR1A P08908 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTR2B P41595 1/20 0.60
HTT P42858 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14428458 0.90 SLC6A4 (0.62) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL14161475 0.86 HTR2A (0.57) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL20665499 0.85 HTR2A (0.56) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL18400731 0.83 HTR2A (0.55) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL14168906 0.83 HTR2A (0.54) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL4985934 0.82 HTR2A (0.77) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL73842 0.81 MEN1 (0.62) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL11338192 0.81 HTR2A (0.55) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL91128 0.79 HTR2A (0.72) HTR2ACYP3A4HTR2CHTR6CYP2D6
SCHEMBL29414676 0.79 HTR2A (0.72) HTR2ACYP3A4HTR2CHTR6CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-11666539-B2 Synthetic lipid-like materials for brain delivery TRUSTEES OF TUFTS COLLEGE (US) 2023-06-06 US disclosed
US-11666539-B2 Synthetic lipid-like materials for brain delivery TRUSTEES OF TUFTS COLLEGE (US) 2023-06-06 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-20220323369-A1 SYNTHETIC LIPID-LIKE MATERIALS FOR BRAIN DELIVERY TRUSTEES OF TUFTS COLLEGE 2022-10-13 US disclosed
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 HTR2A 298/4885CYP3A4 2367/4885HTR2C 309/4885
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR HTR2A 339/4885CYP3A4 1582/4885HTR2C 141/4885
US-20220323369-A1 SYNTHETIC LIPID-LIKE MATERIALS FOR BRAIN DELIVERY NPC1L1, FABP7, LIPA HTR2A 2253/4885CYP3A4 470/4885HTR2C 2699/4885
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 HTR2A 4766/4885CYP3A4 4357/4885HTR2C 4844/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HTR2A 4267/4885CYP3A4 4595/4885HTR2C 4547/4885
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation TNNC1, TNNI3, PYGM HTR2A 3189/4885CYP3A4 636/4885HTR2C 2955/4885
US-11666539-B2 Synthetic lipid-like materials for brain delivery NPC1L1, FABP7, LIPA HTR2A 2246/4885CYP3A4 460/4885HTR2C 2658/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 HTR2A 4862/4885CYP3A4 3967/4885HTR2C 4866/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP HTR2A 4858/4885CYP3A4 4470/4885HTR2C 4844/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 HTR2A 611/4885CYP3A4 395/4885HTR2C 325/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS HTR2A 4857/4885CYP3A4 4819/4885HTR2C 4874/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS HTR2A 4857/4885CYP3A4 4819/4885HTR2C 4874/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR HTR2A 2453/4885CYP3A4 2109/4885HTR2C 1419/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 HTR2A 298/4885CYP3A4 2367/4885HTR2C 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.