SCHEMBL4245691

SCHEMBL4245691

Clc1cccnc1C1CCCC(c2ncccc2Cl)N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.42
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRM1 P35372 2/20 0.35
RIPK1 Q13546 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL2476894 0.84 OPRL1 (0.33) OPRL1
SCHEMBL21516103 0.83 CHRNB2 (0.50) OPRL1CHRNB2CHRNA4CHRNA7
SCHEMBL31444389 0.83 CHRNB2 (0.50) OPRL1CHRNB2CHRNA4CHRNA7
SCHEMBL24141816 0.80 OPRL1 (0.35) OPRL1
SCHEMBL1690157 0.79 OPRL1 (0.55) OPRL1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL24141706 0.79 OPRL1 (0.35) OPRL1
SCHEMBL24141708 0.79 ASIC3 (0.37) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL30586977 0.79 OPRL1 (0.43) OPRL1CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL2472323 0.79 OPRL1 (0.43) OPRL1CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL2472847 0.79 OPRL1 (0.43) OPRL1CHRNB2CHRNA4HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 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 (2 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 OPRL1 1945/4885CHRNB2 4174/4885CHRNA4 3250/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 OPRL1 101/4885CHRNB2 1194/4885CHRNA4 930/4885

“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.