SCHEMBL6405693

SCHEMBL6405693

CC(C)(C)C(NC(=O)Cc1ccc(Cl)cc1)NC(=NC#N)Nc1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.54
TRPV1 Q8NER1 12/20 0.52
ROCK1 Q13464 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL6405690 1.00 P2RX7 (0.54) P2RX7TRPV1ROCK1KDM4EALDH1A1
SCHEMBL6403353 0.90 P2RX7 (0.53) P2RX7TRPV1
SCHEMBL6403395 0.90 P2RX7 (0.53) P2RX7TRPV1ROCK1
SCHEMBL6403349 0.90 P2RX7 (0.53) P2RX7TRPV1
SCHEMBL6403402 0.90 P2RX7 (0.53) P2RX7TRPV1ROCK1
SCHEMBL6400150 0.84 P2RX7 (0.71) P2RX7KDM4EALDH1A1LMNAMAPT
SCHEMBL6400149 0.84 P2RX7 (0.71) P2RX7KDM4EALDH1A1LMNAMAPT
SCHEMBL6405738 0.84 P2RX7 (0.57) P2RX7ALDH1A1HTTSMN1; SMN2
SCHEMBL6405728 0.84 P2RX7 (0.57) P2RX7ALDH1A1HTTSMN1; SMN2
SCHEMBL6401512 0.84 P2RX7 (0.46) P2RX7KDM4EALDH1A1

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.