SCHEMBL8029932

SCHEMBL8029932

CC(=O)NC1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
HTT P42858 2/20 0.55
TAS1R3 Q7RTX0 3/20 0.55
TAS1R1 Q7RTX1 3/20 0.55
TAS1R2 Q8TE23 2/20 0.55
ALDH1A1 P00352 1/20 0.54
EPHX2 P34913 2/20 0.53
KMT2A Q03164 3/20 0.53

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
SCHEMBL600676 1.00 PDPK1 (0.61) PDPK1CA1CA2CA12CA7
SCHEMBL1988494 1.00 PDPK1 (0.61) PDPK1CA1CA2CA12CA7
SCHEMBL2466144 1.00 PDPK1 (0.61) PDPK1CA1CA2CA12CA7
SCHEMBL607818 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31301105 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL8340594 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL6445345 0.90 HTT (0.68) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL11147902 0.89 MTNR1A (0.50) PDPK1CA1CA2CA12CA7
SCHEMBL19658435 0.89 EPHX1 (0.63) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3421659 0.84 HTT (0.60) PDPK1CA1CA2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-20210108245-A1 Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod PHARMAZELL GMBH (DE) 2021-04-15 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
WO-2019197571-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD UNIVERSITÄT BIELEFELD (DE) 2019-10-17 WO disclosed
EP-3553179-A1 ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD Universität Bielefeld (DE) 2019-10-16 EP disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed
WO-1998005651-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1998-02-12 WO disclosed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed
EP-0169443-A2 Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-01-29 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 (7 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PDPK1 239/4885CA1 3792/4885CA2 1845/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PDPK1 4354/4885CA1 3605/4885CA2 3943/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PDPK1 239/4885CA1 3792/4885CA2 1845/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PDPK1 911/4885CA1 3353/4885CA2 3978/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 PDPK1 250/4885CA1 3915/4885CA2 1947/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 PDPK1 4069/4885CA1 2436/4885CA2 1056/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 PDPK1 239/4885CA1 3792/4885CA2 1845/4885

“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.