SCHEMBL6180823

SCHEMBL6180823

CC(C)(C)OC(=O)Cc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GLS O94925 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
CYP19A1 P11511 1/20 0.40
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
OPRK1 P41145 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1178025 0.84 MAOA (0.46) SLC7A5MAOAMAOBGLSCYP19A1
SCHEMBL15432956 0.84 SLC7A5 (0.48) SLC7A5MTNR1AMTNR1BCYP1A2CYP2C19
SCHEMBL960293 0.82 SLC7A5 (0.46) SLC7A5MTNR1AMTNR1BCYP1A2CYP2C19
SCHEMBL10797054 0.82 CTBP2 (0.50) SLC7A5MTNR1AMTNR1BMAOBSMN1; SMN2
SCHEMBL10918989 0.82 CTBP2 (0.47) SLC7A5MTNR1AMTNR1BALDH1A1GAA
SCHEMBL14071507 0.82 SLC7A5 (0.46) SLC7A5MTNR1AMTNR1BCYP1A2CYP2C19
SCHEMBL28277224 0.82 SLC7A5 (0.46) SLC7A5MAOAMAOBALDH1A1GLS
SCHEMBL907660 0.81 SLC7A5 (0.59) SLC7A5MAOAMAOBALDH1A1GLS
SCHEMBL31478027 0.81 SLC7A5 (0.59) SLC7A5MAOAMAOBALDH1A1GLS
SCHEMBL28277222 0.81 MAOB (0.47) SLC7A5MAOAMAOBALDH1A1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
WO-2022065962-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF 한국화학연구원 2022-03-31 WO disclosed
CN-113929618-A Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-01-14 CN disclosed
CN-113912586-A Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-01-11 CN disclosed
CN-108495850-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-11-26 CN disclosed
US-10738242-B2 Compound, cured product, polymer, photo-alignment film, optically anisotropic body and liquid crystal display element DIC CORPORATION (JP) 2020-08-11 US disclosed
US-10738242-B2 Compound, cured product, polymer, photo-alignment film, optically anisotropic body and liquid crystal display element DIC CORPORATION (JP) 2020-08-11 US disclosed
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2011-02-10 US disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 EP disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA SLC7A5 3504/4885MTNR1A 3700/4885MTNR1B 2738/4885
US-10738242-B2 Compound, cured product, polymer, photo-alignment film, optically anisotropic body and liquid crystal display element PYM1, ZYX, CRY1 SLC7A5 1817/4885MTNR1A 4010/4885MTNR1B 4130/4885
US-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 SLC7A5 628/4885MTNR1A 4839/4885MTNR1B 4779/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B SLC7A5 543/4885MTNR1A 124/4885MTNR1B 119/4885

“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.