SCHEMBL2687753

SCHEMBL2687753

NC1CCCc2cnccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CHRNA7 P36544 1/20 0.36
ACHE P22303 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5051446 1.00 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL5051448 1.00 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL17729295 0.98 SIGMAR1 (0.47) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL23905793 0.89 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL2669664 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL12993347 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL23756600 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL29668817 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL18228516 0.84 CHRNB2 (0.57) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL20186895 0.84 CHRNB2 (0.57) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US claimed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 CN claimed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US claimed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP claimed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP claimed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US claimed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO claimed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US disclosed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP disclosed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO 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 (5 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SIGMAR1 799/4885CHRNB2 1477/4885CHRNA4 1646/4885
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A SIGMAR1 1489/4885CHRNB2 834/4885CHRNA4 2069/4885
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D SIGMAR1 2733/4885CHRNB2 648/4885CHRNA4 596/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SIGMAR1 799/4885CHRNB2 1477/4885CHRNA4 1646/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 SIGMAR1 799/4885CHRNB2 1477/4885CHRNA4 1646/4885

“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.