SCHEMBL800515

SCHEMBL800515

C[C@@H](N)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
AOC3 Q16853 1/20 0.46
ACHE P22303 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL781357 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL146546 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL29876183 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL780403 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
Bromide SCHEMBL28591637 0.98 IDO1 (0.47) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL1239204 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
Iodide SCHEMBL29040444 0.98 IDO1 (0.47) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL507110 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL31020152 0.85 IDO1 (0.44) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL659099 0.83 ADRB2 (0.46) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114317475-B Transaminase and application thereof in preparation of optically pure chiral amine 上海合全药物研发有限公司 2025-05-30 CN claimed
CN-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN claimed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN claimed
CN-114317475-A Transaminase and application thereof in preparation of optically pure chiral amine 上海合全药物研发有限公司 2022-04-12 CN claimed
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 EP claimed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 US claimed
EP-2121617-A1 CB1 RECEPTOR MODULATORS 7TM Pharma A/S (DK) 2009-11-25 EP claimed
WO-2008075012-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2008-06-26 WO claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
US-20250326756-A1 METHOD FOR PRODUCING 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS NUVATION BIO INC (US) 2025-10-23 US disclosed
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR CEREVANCE INC (US) 2025-09-11 US disclosed
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
CN-114317475-B Transaminase and application thereof in preparation of optically pure chiral amine 上海合全药物研发有限公司 2025-05-30 CN disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 US disclosed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 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 (7 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 IDO1 467/4885TDO2 328/4885AOC3 2597/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 IDO1 362/4885TDO2 262/4885AOC3 111/4885
US-20250326756-A1 METHOD FOR PRODUCING 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS NISCH, CYP4B1, CYP2W1 IDO1 83/4885TDO2 296/4885AOC3 397/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 IDO1 3678/4885TDO2 2120/4885AOC3 1026/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD IDO1 2570/4885TDO2 2789/4885AOC3 2901/4885
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR GPR55, GPR68, GPR65 IDO1 2010/4885TDO2 2352/4885AOC3 2216/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885AOC3 3972/4885

“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.