SCHEMBL6403402

SCHEMBL6403402

CN(C)c1ccc(CC(=O)NC(NC(=NC#N)Nc2cccc3cnccc23)C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
TRPV1 Q8NER1 14/20 0.52
ROCK1 Q13464 2/20 0.40

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
SCHEMBL6403395 1.00 P2RX7 (0.53) P2RX7TRPV1ROCK1
SCHEMBL6405693 0.90 P2RX7 (0.54) P2RX7TRPV1ROCK1
SCHEMBL6405690 0.90 P2RX7 (0.54) P2RX7TRPV1ROCK1
SCHEMBL6403349 0.89 P2RX7 (0.53) P2RX7TRPV1
SCHEMBL6403353 0.89 P2RX7 (0.53) P2RX7TRPV1
SCHEMBL6408400 0.85 P2RX7 (0.58) P2RX7
SCHEMBL6408398 0.85 P2RX7 (0.58) P2RX7
SCHEMBL6402297 0.77 P2RX7 (0.57) P2RX7
SCHEMBL6404281 0.77 P2RX7 (0.57) P2RX7
SCHEMBL6404370 0.76 P2RX7 (0.57) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 P2RX7 2/4885TRPV1 15/4885ROCK1 2176/4885

“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.