SCHEMBL2332685

SCHEMBL2332685

Cc1ccccc1[C@@H](C)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 2/20 0.46
PNMT P11086 1/20 0.46
TSHR P16473 2/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
ACP3 P15309 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN4A P35499 2/20 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
SCHEMBL143737 1.00 ESR1 (0.52) ESR1CYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL3867592 1.00 ESR1 (0.52) ESR1CYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL4938432 0.97 ESR1 (0.50) ESR1CYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL14121220 0.97 ESR1 (0.50) ESR1CYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL14157216 0.97 ESR1 (0.50) ESR1CYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL11082805 0.85 ESR1 (0.48) ESR1CYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL25569190 0.83 KDM4E (0.56) ESR1CYP2D6NFKB1TSHRACHE
SCHEMBL5051416 0.83 KDM4E (0.56) ESR1CYP2D6NFKB1TSHRACHE
SCHEMBL30678522 0.83 CYP2D6 (0.54) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL14395925 0.83 CYP2D6 (0.54) CYP3A4CYP1A2CYP2D6NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064111-A1 ENANTIOSELECTIVE SYNTHESIS OF BRIVARACETAM AND INTERMEDIATES THEREOF CLININVENT RESEARCH PVT. LTD. (IN) 2022-03-03 US claimed
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2025-05-08 US disclosed
EP-4469431-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 Research Triangle Institute (US) 2024-12-04 EP disclosed
CN-118541348-A 4-Substituted-phenylacetamides and aryl ureas as agonists of the orphan receptor GPR88 研究三角协会 2024-08-23 CN disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
CN-114438049-B Amine dehydrogenase and encoding nucleic acid and application thereof 河北工业大学 2023-09-15 CN disclosed
US-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization MISSISSIPPI STATE UNIVERSITY 2023-09-07 US disclosed
US-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization MISSISSIPPI STATE UNIVERSITY 2023-09-07 US disclosed
WO-2023146816-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2023-08-03 WO disclosed
CN-114438049-A Amine dehydrogenase and coding nucleic acid and application thereof 河北工业大学 2022-05-06 CN disclosed
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION 2003-12-25 US disclosed
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GENZYME CORPORATION 2003-12-25 US disclosed
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide GENZYME CORPORATION (US) 2003-12-25 US disclosed
US-20030229231-A1 Synthesis of 2-alkylcysteine GENZYME CORPORATION 2003-12-11 US disclosed
US-20030225287-A1 Synthesis of chiral 2-alkyl amino acids GENZYME CORPORATION 2003-12-04 US disclosed
EP-1211254-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP disclosed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US disclosed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP disclosed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 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 (8 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-20030225287-A1 Synthesis of chiral 2-alkyl amino acids FTH1, CISD2, PTMS ESR1 4183/4885CYP3A4 2754/4885CYP1A2 3833/4885
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 ESR1 4055/4885CYP3A4 2320/4885CYP1A2 3311/4885
US-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization INMT, IDO2, WEE2 ESR1 1486/4885CYP3A4 311/4885CYP1A2 150/4885
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester FTH1, TFRC, CNDP2 ESR1 2636/4885CYP3A4 2981/4885CYP1A2 3561/4885
US-20220064111-A1 ENANTIOSELECTIVE SYNTHESIS OF BRIVARACETAM AND INTERMEDIATES THEREOF CYP2B6, CYP3A4, CYP2C19 ESR1 1643/4885CYP3A4 2/4885CYP1A2 21/4885
US-20030229231-A1 Synthesis of 2-alkylcysteine FTH1, CISD2, CNDP2 ESR1 4470/4885CYP3A4 3118/4885CYP1A2 4001/4885
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide CNDP2, FTH1, PTMS ESR1 3601/4885CYP3A4 3961/4885CYP1A2 4353/4885
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 GPR88, GPR84, GPR139 ESR1 841/4885CYP3A4 1510/4885CYP1A2 919/4885

“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.