SCHEMBL2632966

SCHEMBL2632966

CCC(C)N1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
OGA O60502 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
ACE P12821 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL20756303 1.00 MAOA (0.50) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL13180668 0.87 MEN1 (0.63) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL19018977 0.86 MEN1 (0.47) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL10311208 0.84 MAOA (0.52) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL30561536 0.81 MAOA (0.57) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL1083820 0.81 MAOA (0.57) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL28886162 0.81 MAOA (0.48) MAOAMAOBMEN1KMT2AKDM4E
SCHEMBL23102118 0.79 ACACB (0.44) NOTUM
SCHEMBL22817021 0.79 DRD1 (0.47) HRH3
SCHEMBL2632967 0.79 KCNH2 (0.52) KMT2AHRH3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683219-A1 COMPOUND INHIBITING BUTYRYLCHOLINESTERASE Julius-Maximilians-Universität Würzburg (DE) 2020-07-22 EP disclosed
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
WO-2017207556-A2 UREA MOTIF CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS ANTIBACTERIAL DRUGS Technische Universität München (DE) 2017-12-07 WO disclosed
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2012-12-20 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20100256128-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-10-07 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
EP-1849781-A1 Substituted 3-Amino-4-hydroxy pyrrolidines compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-10-31 EP disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO 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 (6 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MAOA 1379/4885MAOB 1256/4885MEN1 4650/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1838/4885MAOB 2160/4885MEN1 2572/4885
US-20100256128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1838/4885MAOB 2160/4885MEN1 2572/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 MAOA 2697/4885MAOB 2530/4885MEN1 3385/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAOA 1481/4885MAOB 1595/4885MEN1 3509/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD MAOA 789/4885MAOB 2390/4885MEN1 3515/4885

“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.