SCHEMBL145755

SCHEMBL145755

c1ccc2c(c1)N=C1CCCCC12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.50
NOS2 P35228 5/20 0.46
NOS3 P29474 4/20 0.46
ADRA1A P35348 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HTR1A P08908 1/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL30074503 1.00 NOS1 (0.50) NOS1NOS2NOS3ADRA1AADRA2A
SCHEMBL9559207 0.94 NOS1 (0.47) NOS1NOS2NOS3ADRA1AADRA2A
SCHEMBL3880710 0.76 CYP19A1 (0.44) NOS1ALDH1A1KDM4EACHE
SCHEMBL1005903 0.76 NOS1 (0.41) NOS1NOS2NOS3ADRA1AADRA2A
SCHEMBL3922142 0.75 NOS1 (0.40) NOS1NOS2NOS3ADRA1A
SCHEMBL7502383 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5474778 0.73 NOS1 (0.39) NOS1NOS2NOS3ADRA1A
SCHEMBL28868450 0.72 HCAR3 (0.38) ALDH1A1KDM4EKMT2A
SCHEMBL16115899 0.71 NOS1 (0.44) NOS1NOS2NOS3
SCHEMBL1012779 0.71 NOS1 (0.40) NOS1NOS2NOS3ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12138243-B2 Antiviral use of FABP4 modulating compounds CRESCENTA BIOSCIENCES (US) 2024-11-12 US disclosed
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-17 US disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
CN-114173780-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰·斯坦福大学托管委员会 2022-03-11 CN disclosed
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
US-20220033417-A1 THERAPEUTIC AGENTS AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2022-02-03 US disclosed
EP-3848992-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2021-07-14 EP disclosed
CN-105503699-B Oxocarbon compound, resin composition containing the same, and filter containing the resin composition 株式会社日本触媒 2021-05-11 CN disclosed
EP-3657563-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2020-05-27 EP disclosed
US-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation KING ABDULAZIZ UNIVERSITY (SA) 2020-03-03 US disclosed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
WO-2006070325-A3 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-14 WO disclosed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 WO disclosed
US-6849644-B2 Isoquinoline derivatives useful in the treatment of CNS disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-01 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 (9 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 NOS1 597/4885NOS2 183/4885NOS3 231/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 NOS1 3307/4885NOS2 3315/4885NOS3 3218/4885
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 NOS1 2112/4885NOS2 2059/4885NOS3 1668/4885
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 NOS1 3948/4885NOS2 3164/4885NOS3 3084/4885
US-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation FLI1, ABL1, INMT NOS1 2642/4885NOS2 2636/4885NOS3 2630/4885
US-12138243-B2 Antiviral use of FABP4 modulating compounds FABP1, FABP5, FABP4 NOS1 4438/4885NOS2 4693/4885NOS3 4543/4885
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B NOS1 3708/4885NOS2 4014/4885NOS3 3583/4885
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS FABP1, FABP4, FABP5 NOS1 4340/4885NOS2 4657/4885NOS3 4472/4885
US-20220033417-A1 THERAPEUTIC AGENTS AND USES THEREOF MCL1, BCL9, RNASE1 NOS1 3608/4885NOS2 3668/4885NOS3 2951/4885

“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.