SCHEMBL12701432

SCHEMBL12701432

CC(C)c1ncc(C(C#N)N2CCC(F)(F)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 7/20 0.37
ACHE P22303 4/20 0.34
P2RX7 Q99572 6/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RPS6KB1 P23443 1/20 0.32

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 0.87 P2RX7 (0.42) OPRL1ALDH1A1ACHEP2RX7
SCHEMBL12701377 0.84 OPRL1 (0.40) OPRL1ALDH1A1ACHESMN1; SMN2RPS6KB1
SCHEMBL1133952 0.83 OPRL1 (0.37) OPRL1ALDH1A1ACHEP2RX7TSHR
SCHEMBL12701457 0.83 P2RX7 (0.46) OPRL1ALDH1A1ACHEP2RX7SMN1; SMN2
SCHEMBL12701245 0.83 ALDH1A1 (0.38) OPRL1ALDH1A1ACHEP2RX7TSHR
SCHEMBL12701327 0.83 P2RX7 (0.43) OPRL1ALDH1A1ACHEP2RX7
SCHEMBL16460689 0.82 P2RX7 (0.39) OPRL1ALDH1A1P2RX7
SCHEMBL1134093 0.82 P2RX7 (0.44) OPRL1P2RX7RPS6KB1
SCHEMBL12701343 0.81 ALDH1A1 (0.54) ALDH1A1ACHETSHRRAB9ASMN1; SMN2
SCHEMBL12701395 0.81 ALDH1A1 (0.38) OPRL1ALDH1A1ACHETSHRRAB9A

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 4 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-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

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.