SCHEMBL2474837

SCHEMBL2474837

Cc1cccnc1C1CCCC(c2ncccc2C)N1CC1CN(C(=O)NO)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
OPRL1 P41146 7/20 0.37
PDE10A Q9Y233 1/20 0.37
EPHX2 P34913 1/20 0.35
CXCR4 P61073 4/20 0.35
GAA P10253 1/20 0.34
SSTR4 P31391 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM4 P08173 1/20 0.34
HSD11B1 P28845 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
SCHEMBL13611565 1.00 TRPV1 (0.39) TRPV1OPRL1PDE10AEPHX2CXCR4
SCHEMBL8300548 0.90 GAA (0.45) TRPV1OPRL1CXCR4GAAKCNH2
Hydroxyurea SCHEMBL2470013 0.80 KDM4E (0.36) TRPV1OPRL1CXCR4SSTR4
SCHEMBL8304371 0.77 OPRL1 (0.40) OPRL1CXCR4SSTR4KCNH2
SCHEMBL8305812 0.76 OPRL1 (0.38) TRPV1OPRL1CXCR4
SCHEMBL2476650 0.76 HDAC6 (0.41) CXCR4
SCHEMBL2470568 0.75 HDAC3 (0.44)
SCHEMBL8304248 0.74 HDAC6 (0.49) KCNH2
SCHEMBL2474654 0.74 HDAC6 (0.49) KCNH2
SCHEMBL2470461 0.74 HDAC3 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP claimed
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 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 TRPV1 1700/4885OPRL1 1945/4885PDE10A 2215/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 TRPV1 591/4885OPRL1 101/4885PDE10A 2309/4885

“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.