SCHEMBL6764530

SCHEMBL6764530

Cc1ccncc1C1=CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.54
TRPV1 Q8NER1 2/20 0.50
PANK3 Q9H999 1/20 0.48

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
SCHEMBL6764544 0.85 TRPV1 (0.59) NAMPTTRPV1
SCHEMBL6764626 0.80 TRPV1 (0.60) TRPV1PANK3
SCHEMBL29865257 0.78 CYP11B2 (0.42) NAMPT
SCHEMBL10285113 0.78 SMN1; SMN2 (0.60) TRPV1PANK3
SCHEMBL14040566 0.78 SMN1; SMN2 (0.63) NAMPTTRPV1PANK3
SCHEMBL13203001 0.77 PANK3 (0.59) NAMPTTRPV1PANK3
SCHEMBL22920552 0.73 PANK3 (0.62) NAMPTTRPV1PANK3
SCHEMBL21424078 0.72 PANK3 (0.62) NAMPTTRPV1PANK3
SCHEMBL6764523 0.71 NPC1 (0.71) TRPV1PANK3
SCHEMBL3699286 0.70 NAMPT (1.00) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 US disclosed
US-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 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 (1 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-20100331369-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B NAMPT 4709/4885TRPV1 135/4885PANK3 4740/4885

“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.