SCHEMBL56772

SCHEMBL56772

CN1CCC(N)(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.60
DRD4 P21917 1/20 0.60
KCNH2 Q12809 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL11738164 0.83 OPRM1 (0.77) OPRM1DRD4KCNH2SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL11747049 0.81 OPRM1 (0.74) OPRM1DRD4KCNH2SLC22A1SLC6A4
SCHEMBL2773343 0.80 OPRM1 (0.47) OPRM1DRD4KCNH2SLC6A4
SCHEMBL57461 0.79 PNMT (0.54)
SCHEMBL16418421 0.79 OPRM1 (0.73) OPRM1DRD4KCNH2GRIN2DGRIN3B
SCHEMBL6888869 0.79 OPRM1 (0.53) OPRM1DRD4OPRD1OPRK1
SCHEMBL3028217 0.77 DRD4 (0.58) OPRM1DRD4
SCHEMBL13234639 0.77 DRD4 (0.58) OPRM1DRD4
Hydrochloric Acid SCHEMBL665781 0.77 PNMT (0.52)
SCHEMBL684582 0.77 OPRD1 (0.62) OPRM1DRD4KCNH2SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213255-A Synthetic method of six-membered ring benzylamine compound 上海泰坦科技股份有限公司 2022-03-22 CN disclosed
WO-2019115008-A1 DIALKYLAMINOARYLPIPERIDINYL-O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-06-20 WO disclosed
US-9458160-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2016-10-04 US disclosed
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2016-02-18 US disclosed
US-9187480-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2015-11-17 US disclosed
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 US disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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 (4 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 OPRM1 95/4885DRD4 268/4885KCNH2 415/4885
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 OPRM1 33/4885DRD4 384/4885KCNH2 3811/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF OPRM1 2515/4885DRD4 3894/4885KCNH2 3867/4885
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 OPRM1 33/4885DRD4 384/4885KCNH2 3811/4885

“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.