SCHEMBL316987

SCHEMBL316987

Fc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
ESR2 Q92731 1/20 0.57
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PTPN1 P18031 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
IDO1 P14902 2/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 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
SCHEMBL28311259 0.98 TAAR1 (0.55) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL28042449 0.92 TAAR1 (0.50) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL11973522 0.83 MEN1 (0.48) TAAR1ESR2CYP3A4NISCHHSD17B1
SCHEMBL198702 0.83 TAAR1 (0.68) TAAR1ESR2CYP17A1CYP3A4CYP11B1
Biphenyl SCHEMBL25183774 0.80 TAAR1 (0.67) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL29451178 0.80 TAAR1 (0.67) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL200605 0.80 TAAR1 (0.67) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL16605626 0.80 TAAR1 (0.65) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL29628985 0.80 TAAR1 (0.65) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL16605628 0.80 TAAR1 (0.65) TAAR1ESR2CYP17A1CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
CN-113214104-A Method for synthesizing aromatic acetamide 浙江工业大学 2021-08-06 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
WO-2015022293-A2 1,3-(HET)ARYL-SUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2015-02-19 WO claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
EP-2160187-B1 SPIROINDALONES MERCK SHARP & DOHME (US) 2013-05-22 EP claimed
US-6358981-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US claimed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US claimed
JP-2001511781-A 2001-08-14 JP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO 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 (3 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-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 TAAR1 150/4885ESR2 903/4885CYP17A1 2613/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 TAAR1 129/4885ESR2 543/4885CYP17A1 2217/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA TAAR1 2754/4885ESR2 694/4885CYP17A1 55/4885

“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.