SCHEMBL6403153

SCHEMBL6403153

CC(C)(C)C(NC(=O)Cc1ccc(Cl)cc1)NC(=NC#N)Nc1cccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.59
KCNJ11 Q14654 1/20 0.49
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6403150 1.00 P2RX7 (0.59) P2RX7KCNJ11ALDH1A1
SCHEMBL6401857 0.92 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6401859 0.92 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6403143 0.90 P2RX7 (0.56) P2RX7KCNJ11ALDH1A1
SCHEMBL6403147 0.90 P2RX7 (0.56) P2RX7KCNJ11ALDH1A1
SCHEMBL6400149 0.89 P2RX7 (0.71) P2RX7ALDH1A1
SCHEMBL6400150 0.89 P2RX7 (0.71) P2RX7ALDH1A1
SCHEMBL6406819 0.87 P2RX7 (0.72) P2RX7
SCHEMBL6406309 0.87 P2RX7 (0.72) P2RX7
SCHEMBL6408756 0.86 P2RX7 (0.67) 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 2/4885KCNJ11 59/4885ALDH1A1 1730/4885

“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.