SCHEMBL1133952

SCHEMBL1133952

CSc1ncc(C(C#N)N2CCC(F)(F)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 7/20 0.35
ACHE P22303 3/20 0.33
P2RX7 Q99572 6/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDE9A O76083 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL12701269 0.85 P2RX7 (0.42) OPRL1ALDH1A1ACHEP2RX7
SCHEMBL12701432 0.83 OPRL1 (0.39) OPRL1ALDH1A1ACHEP2RX7TSHR
SCHEMBL12701377 0.82 OPRL1 (0.40) OPRL1ALDH1A1ACHESMN1; SMN2RPS6KB1
SCHEMBL12701245 0.81 ALDH1A1 (0.38) OPRL1ALDH1A1ACHEP2RX7TSHR
SCHEMBL12701327 0.81 P2RX7 (0.43) OPRL1ALDH1A1ACHEP2RX7
SCHEMBL12701457 0.81 P2RX7 (0.46) OPRL1ALDH1A1ACHEP2RX7SMN1; SMN2
SCHEMBL16460689 0.80 P2RX7 (0.39) OPRL1ALDH1A1P2RX7
SCHEMBL1134093 0.80 P2RX7 (0.44) OPRL1P2RX7RPS6KB1
SCHEMBL12701395 0.78 ALDH1A1 (0.38) OPRL1ALDH1A1ACHETSHRRAB9A
SCHEMBL16460727 0.78 P2RX7 (0.45) OPRL1ALDH1A1ACHEP2RX7SMN1; SMN2

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
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
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
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

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 OPRL1 83/4885ALDH1A1 2008/4885ACHE 2111/4885

“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.