SCHEMBL4656597

SCHEMBL4656597

CN1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.97
KMT2A Q03164 1/20 0.56
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC6A2 P23975 1/20 0.51
OPRL1 P41146 1/20 0.51

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
SCHEMBL14272905 0.88 OPRM1 (0.76) OPRM1KMT2ASLC6A4SLC6A3OPRL1
SCHEMBL4826627 0.85 OPRM1 (0.71) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL5166604 0.82 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL1611 0.82 OPRM1 (0.67) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL7377089 0.82 OPRM1 (0.67) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL4657423 0.81 OPRM1 (0.67) OPRM1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL16691415 0.81 OPRM1 (0.66) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL626042 0.80 OPRM1 (0.65) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL31441136 0.80 OPRM1 (0.65) OPRM1SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL5758344 0.80 KMT2A (0.66) OPRM1KMT2AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20050245572-A1 Naphthyl ether compounds and their use OLINK AB (SE) 2005-11-03 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
EP-1546101-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-06-29 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004022539-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-03-18 WO disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 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 (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-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 OPRM1 161/4885KMT2A 245/4885SLC6A4 752/4885
US-20050245572-A1 Naphthyl ether compounds and their use NR4A1, NPM1, H1-4 OPRM1 743/4885KMT2A 1575/4885SLC6A4 3111/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 OPRM1 696/4885KMT2A 979/4885SLC6A4 1749/4885

“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.