SCHEMBL644461

SCHEMBL644461

COC(=O)C1Cc2ccccc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3989086 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL29569853 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL926891 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7950878 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL30046451 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL6397031 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL926973 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Methyl Alcohol SCHEMBL28795455 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL3256392 0.87 GAA (0.61) GAAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7294748 0.84 GAA (0.61) GAAMAPTEPHX2SMYD3MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 US claimed
CN-118102889-A Organic compound 奇华顿股份有限公司 2024-05-28 CN claimed
CN-1759118-B Diazepinoindole derivatives as kinase inhibitors PFIZER 2010-12-08 CN claimed
EP-1687270-A4 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK HOLDINGS CO LTD (KR) 2009-05-20 EP claimed
CN-100463903-C Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORP (KR) 2009-02-25 CN claimed
US-7405070-B2 Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORPORATION (KR) 2008-07-29 US claimed
JP-2007512016-A 2007-05-17 JP claimed
US-20070077632-A1 Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORPORATION (KR) 2007-04-05 US claimed
CN-1886373-A Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORP (KR) 2006-12-27 CN claimed
EP-1687270-A1 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK Corporation (KR) 2006-08-09 EP claimed
CN-1759118-A Diazepinoindole derivatives as kinase inhibitors PFIZER (US) 2006-04-12 CN claimed
WO-2005051910-A1 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK CORPORATION (KR) 2005-06-09 WO claimed
JP-7258250-A None JP disclosed
US-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 US disclosed
US-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 US disclosed
EP-4415561-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2024-08-21 EP disclosed
WO-1995001353-A1 ANTIHYPERTENSIVE TRICYCLIC AZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE CIBA-GEIGY AG (CH) 1995-01-12 WO disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed
US-4599357-A 1-mercaptoalkanoylindoline-2-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-07-08 US disclosed
US-3980797-A Hexahydro-diazepino-indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-14 US 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 (1 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-20240409517-A1 ORGANIC COMPOUNDS HTR3C, HTR3A, H1-0 GAA 3857/4885MAPT 1418/4885BACE1 3862/4885

“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.