SCHEMBL823098

SCHEMBL823098

CC(C)(C)CNC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10101623 0.77 NPSR1 (0.34) NPSR1TSHR
SCHEMBL4346571 0.77 NPSR1 (0.34) NPSR1
SCHEMBL24192877 0.74 NPSR1 (0.30) NPSR1
SCHEMBL12744801 0.74
SCHEMBL16015529 0.74 NPSR1 (0.30) NPSR1
SCHEMBL23471512 0.72
SCHEMBL18802050 0.72
SCHEMBL20215618 0.72
SCHEMBL13537532 0.72
SCHEMBL23750515 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof Chongqing Upgra Biotechnology Co., Ltd. (CN) 2023-10-24 US disclosed
US-7498342-B2 Compounds modulating c-kit activity PLEXXIKON, INC. (US) 2009-03-03 US disclosed
US-7482345-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2009-01-27 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070129372-A1 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (12 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 NPSR1 4598/4885TSHR 2922/4885TDP1 725/4885
US-12029791-B2 Therapeutic conjugates CD47, CD44, EPCAM NPSR1 2281/4885TSHR 1880/4885TDP1 2678/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 NPSR1 3690/4885TSHR 4420/4885TDP1 1645/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NPSR1 1220/4885TSHR 1662/4885TDP1 4535/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 NPSR1 105/4885TSHR 909/4885TDP1 3759/4885
US-11793881-B2 Polyethylene glycol conjugate medicament, preparation method therefor and use thereof SLC10A1, SLC10A2, NOTUM NPSR1 759/4885TSHR 3332/4885TDP1 3764/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 NPSR1 3524/4885TSHR 3223/4885TDP1 114/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP NPSR1 309/4885TSHR 1981/4885TDP1 3975/4885
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 NPSR1 64/4885TSHR 552/4885TDP1 4129/4885
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 NPSR1 55/4885TSHR 394/4885TDP1 4307/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH NPSR1 3063/4885TSHR 1357/4885TDP1 4424/4885
US-20070129372-A1 P38 kinase inhibiting agents MAPK1, MAPK8, MAPK7 NPSR1 1891/4885TSHR 2356/4885TDP1 360/4885

“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.