SCHEMBL8073186

SCHEMBL8073186

CN1CCC2(CC1)COc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
IDO1 P14902 1/20 0.44
AVPR1A P37288 1/20 0.43
S1PR5 Q9H228 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SCD O00767 2/20 0.39

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
SCHEMBL14154504 0.90 SCD (0.42) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL7821093 0.85 KCNH2 (0.41) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL21029007 0.83 TNKS (0.43) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL30079574 0.83 TNKS (0.43) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL25681344 0.83 TNKS (0.45) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL22514004 0.82 SCD (0.37) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL9060153 0.82 ALDH1A1 (0.40) TNKSTNKS2IDO1AVPR1ASIGMAR1
SCHEMBL8014729 0.82 S1PR5 (0.44) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL14112073 0.82 CYP2D6 (0.46) TNKSTNKS2IDO1AVPR1AS1PR5
SCHEMBL29597292 0.82 GRIN2D (0.46) TNKSTNKS2IDO1AVPR1AS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2022-01-06 US disclosed
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones ADDEX PHARMACEUTICALS S.A. (CH) 2021-07-27 US disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2020-02-06 US disclosed
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
US-5952325-A Tricyclic spiro compounds process for their preparation and their use of 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-14 US disclosed
EP-0854717-A1 USE OF 5HT 1B? RECEPTOR ANTAGONIST FOR THE TREATMENT OF VASCULAR DISEASE SMITHKLINE BEECHAM PLC (GB) 1998-07-29 EP disclosed
WO-1997010824-A1 USE OF 5HT1B RECEPTOR ANTAGONIST FOR THE TREATMENT OF VASCULAR DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 1997-03-27 WO disclosed
WO-1996011934-A1 TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO disclosed
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 EP disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 WO disclosed
US-4593033-A Cardiovascular disorders MERCK & CO., INC. (US) 1986-06-03 US disclosed
US-4548941-A 1,5-Methano-1H-4-benzazonine dicarboxylates, process for preparing and use as calcium blockers MERCK & CO., INC. (US) 1985-10-22 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 (6 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 TNKS 1283/4885TNKS2 2191/4885IDO1 730/4885
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones GRM2, GRM1, GRIN2C TNKS 3940/4885TNKS2 3346/4885IDO1 902/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C TNKS 3898/4885TNKS2 3310/4885IDO1 788/4885
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C TNKS 3898/4885TNKS2 3310/4885IDO1 788/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C TNKS 3017/4885TNKS2 2437/4885IDO1 1145/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A TNKS 2344/4885TNKS2 2493/4885IDO1 3035/4885

“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.