SCHEMBL228947

SCHEMBL228947

COc1cccc(CC(=O)NCC(OC)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
RAB9A P51151 1/20 0.50
CTBP2 P56545 1/20 0.50
MAPK8 P45983 1/20 0.50
MMP13 P45452 1/20 0.50
CTSD P07339 1/20 0.50

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
SCHEMBL30468424 1.00 CA1 (0.54) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL11042747 0.88 CA1 (0.51) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL5044688 0.86 LTB4R (0.51)
SCHEMBL21753248 0.82 ALDH1A1 (0.64) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL28381607 0.82 MRGPRX4 (0.46) SMN1; SMN2RAB9A
SCHEMBL10700966 0.82 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1818952 0.80 SMN1; SMN2 (0.52) ALDH1A1HTTSMN1; SMN2POLBMAPT
SCHEMBL11654998 0.80 CA1 (0.77) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL28992026 0.80 NPC1 (0.74) ALDH1A1HTTSMN1; SMN2POLBUSP2
SCHEMBL15831226 0.80 POLB (0.58) ALDH1A1HTTSMN1; SMN2POLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2019202611-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVABRADINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS METROCHEM API PVT (IN) 2019-10-24 WO disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
EP-0229510-B1 SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US disclosed
WO-1988007858-A1 SULFINYL AND SULFONYL SUBSTITUTED 3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-10-20 WO disclosed
EP-0285287-A2 3-Benzazepine compounds for use in treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1988-10-05 EP disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP disclosed
US-4659706-A Sulfinyl and sulfonyl substituted 3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1987-04-21 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CA1 3378/4885CA2 398/4885ALDH1A1 77/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 CA1 442/4885CA2 981/4885ALDH1A1 2275/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE CA1 162/4885CA2 627/4885ALDH1A1 708/4885

“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.