SCHEMBL1871985

SCHEMBL1871985

O=C1CCc2cccc(F)c2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
TRPV1 Q8NER1 1/20 0.40
SRD5A1 P18405 2/20 0.39
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
TIPARP Q7Z3E1 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
SCHEMBL12430504 0.89 L3MBTL1 (0.40) CYP2A6DRD2DRD3TRPV1SRD5A1
SCHEMBL8061942 0.84 CYP2A6 (0.52) CYP2A6DRD2DRD3SRD5A1CYP1A2
SCHEMBL11430501 0.83 CYP1A2 (0.52) CYP2A6DRD2DRD3SRD5A1CYP1A2
SCHEMBL30406729 0.83 CYP1A2 (0.52) CYP2A6DRD2DRD3SRD5A1CYP1A2
SCHEMBL20123631 0.79 CYP2A6 (0.45) CYP2A6DRD2DRD3SRD5A1CYP1A2
SCHEMBL24011796 0.78
SCHEMBL30042165 0.78
SCHEMBL5535806 0.78 CYP2A6 (0.54) CYP2A6TRPV1CYP1A2L3MBTL1CES1
Ammonia Solution, Strong SCHEMBL3977602 0.76 DRD2 (0.52) DRD2DRD3SRD5A1ADRA2AL3MBTL1
SCHEMBL206466 0.76 CYP2A6 (0.52) CYP2A6TRPV1CYP1A2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
EP-3883932-B1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-03-29 EP disclosed
EP-4019485-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20220009898-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-01-13 US disclosed
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US disclosed
US-9353081-B2 Bicyclic dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
CN-1351601-A Heterocyclic compounds binding chemotactic factor receptor ANORMED INC (CA) 2002-05-29 CN disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 WO disclosed
US-5389687-A Selective antagonists of serotonin ELI LILLY AND COMPANY (US) 1995-02-14 US disclosed
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
CN-1024665-C process for preparing ring-substituted 2-amino-1, 2, 3, 4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-05-25 CN disclosed
US-5164385-A AZETIDINE DERIVATIVES AND HYPOTENSIVE COMPOSITIONS THEREOF JOHN WYETH & BROTHER, LTD. (GB) 1992-11-17 US disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
CN-1038644-A Nuclear substituted 2-amino-1,2,3,4-tetralin class LILLY CO ELI (US) 1990-01-10 CN disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP 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 (4 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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH CYP2A6 4734/4885DRD2 4742/4885DRD3 4784/4885
US-20220009898-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE COASY, NAAA, AADAC CYP2A6 217/4885DRD2 3407/4885DRD3 4109/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 CYP2A6 111/4885DRD2 322/4885DRD3 386/4885
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS GLI1, GLI2, SHH CYP2A6 4734/4885DRD2 4742/4885DRD3 4784/4885

“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.