SCHEMBL6402333

SCHEMBL6402333

COc1cc(OC)cc(C(=O)NC(N/C(=N/C#N)Nc2cccc3cnccc23)C(C)(Cl)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.48
TRPV1 Q8NER1 11/20 0.43
KCNJ11 Q14654 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 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
SCHEMBL6402336 1.00 P2RX7 (0.48) P2RX7TRPV1KCNJ11FFAR4GPR139
SCHEMBL6406446 0.82 P2RX7 (0.69) P2RX7KCNJ11LMNA
SCHEMBL6406444 0.82 P2RX7 (0.69) P2RX7KCNJ11LMNA
SCHEMBL4684181 0.76 KCNJ11 (0.69) KCNJ11
SCHEMBL4684178 0.76 KCNJ11 (0.69) KCNJ11
SCHEMBL4679954 0.75 KCNJ11 (0.59) P2RX7KCNJ11
SCHEMBL4679952 0.75 KCNJ11 (0.59) P2RX7KCNJ11
SCHEMBL6405690 0.75 P2RX7 (0.54) P2RX7TRPV1ALDH1A1LMNAMAPT
SCHEMBL6405693 0.75 P2RX7 (0.54) P2RX7TRPV1ALDH1A1LMNAMAPT
SCHEMBL4681863 0.74 KCNJ11 (0.56) P2RX7KCNJ11

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 15/4885KCNJ11 59/4885

“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.