SCHEMBL56478

SCHEMBL56478

COc1ccc([C@H](C)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SLC6A4 P31645 2/20 0.54
ADRB2 P07550 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ACHE P22303 2/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A3 Q01959 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL120603 1.00 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CA1CA2
SCHEMBL57137 1.00 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL28704563 0.98 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CA1CA2
Bromide SCHEMBL28602504 0.98 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL2186508 0.98 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL28706049 0.98 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CA1CA2
SCHEMBL756642 0.93 LTA4H (0.52) CYP1A2CYP2D6CYP2C19CA1CA2
SCHEMBL30913870 0.93 ALOX5 (0.53) CYP1A2CYP2D6CYP2C19CA1CA2
Propane SCHEMBL29187532 0.93 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CA1CA2
Acetic Acid SCHEMBL11035019 0.88 ALOX5 (0.49) CYP1A2CYP2D6CYP2C19CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387385-A1 TREATMENT FOR GLOMERULAR DISEASES ZYDUS LIFESCIENCES LIMITED (IN) 2025-12-25 US claimed
EP-4565233-A1 TREATMENT FOR APLASTIC ANEMIA (AA) Zydus Lifesciences Limited (IN) 2025-06-11 EP claimed
EP-4539934-A1 TREATMENT FOR GLOMERULAR DISEASES Zydus Lifesciences Limited (IN) 2025-04-23 EP claimed
US-20250078176-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2025-03-06 US claimed
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN claimed
WO-2024216075-A1 SYNTHESIS OF MAVORIXAFOR AND INTERMEDIATES THEREOF X4 PHARMACEUTICALS, INC. (US) 2024-10-17 WO claimed
CN-118435582-A Environmental attributes of nitrogen-containing chemicals 巴斯夫欧洲公司 2024-08-02 CN claimed
CN-118307400-A Preparation method of S-flurbiprofen 金仓(上海)医药生物科技有限公司 2024-07-09 CN claimed
CN-118185900-A Transaminase, preparation method and application thereof, and preparation method of amino-containing compound 爱斯特(成都)生物制药股份有限公司 2024-06-14 CN claimed
US-20240173314-A1 TREATMENT OF SICKLE CELL ANAEMIA ZYDUS LIFESCIENCES LTD. (IN) 2024-05-30 US claimed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US claimed
US-20070238880-A1 Diastereoselective Synthesis Process for the Preparation of Imidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-11 US claimed
US-7135570-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2006-11-14 US claimed
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GLAXOSMITHKLINE S.P.A. (IT) 2006-10-12 US claimed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP claimed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US claimed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US claimed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US claimed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US claimed

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-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 CYP1A2 1824/4885CYP2D6 1869/4885CYP2C19 2565/4885
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 CYP1A2 37/4885CYP2D6 123/4885CYP2C19 180/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 CYP1A2 37/4885CYP2D6 123/4885CYP2C19 180/4885
US-20070238880-A1 Diastereoselective Synthesis Process for the Preparation of Imidazole Compounds DHPS, CYP2S1, CYP1A2 CYP1A2 3/4885CYP2D6 21/4885CYP2C19 28/4885
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators CNR1, CNR2, FAAH CYP1A2 726/4885CYP2D6 672/4885CYP2C19 429/4885
US-20250387385-A1 TREATMENT FOR GLOMERULAR DISEASES SSB, GRN, ALB CYP1A2 4800/4885CYP2D6 4820/4885CYP2C19 4404/4885
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 CYP1A2 545/4885CYP2D6 513/4885CYP2C19 836/4885
US-20240173314-A1 TREATMENT OF SICKLE CELL ANAEMIA HBG1, HBB, HBG2 CYP1A2 794/4885CYP2D6 843/4885CYP2C19 807/4885
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists KCNK3, KCNJ2, KCNK2 CYP1A2 1434/4885CYP2D6 1124/4885CYP2C19 1439/4885

“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.