SCHEMBL1134093

SCHEMBL1134093

N#CC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.44
OPRL1 P41146 1/20 0.38
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL16460689 0.89 P2RX7 (0.39) P2RX7OPRL1
SCHEMBL12701269 0.83 P2RX7 (0.42) P2RX7OPRL1
SCHEMBL12701377 0.83 OPRL1 (0.40) OPRL1RPS6KB1
SCHEMBL12701211 0.83 RPS6KB1 (0.52) P2RX7OPRL1RPS6KB1
SCHEMBL12701432 0.82 OPRL1 (0.39) P2RX7OPRL1RPS6KB1
SCHEMBL12724323 0.82 ALDH1A1 (0.51) P2RX7RPS6KB1
SCHEMBL12701457 0.80 P2RX7 (0.46) P2RX7OPRL1
SCHEMBL1133952 0.80 OPRL1 (0.37) P2RX7OPRL1RPS6KB1
SCHEMBL12701395 0.80 ALDH1A1 (0.38) OPRL1RPS6KB1
SCHEMBL16460727 0.80 P2RX7 (0.45) P2RX7OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931717-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
EP-2285800-B1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
EP-2285800-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-02-23 EP disclosed
WO-2009132000-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO disclosed
WO-2009132000-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO 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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 P2RX7 1/4885OPRL1 83/4885RPS6KB1 1281/4885

“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.