SCHEMBL12701211

SCHEMBL12701211

N#CC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.52
P2RX7 Q99572 8/20 0.47
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35

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
SCHEMBL18240274 0.83 ALDH1A1 (0.55) RPS6KB1P2RX7ALDH1A1ACHESMN1; SMN2
SCHEMBL1134093 0.83 P2RX7 (0.44) RPS6KB1P2RX7OPRL1
SCHEMBL18240213 0.82 RPS6KB1 (0.50) RPS6KB1P2RX7OPRL1ALDH1A1ACHE
SCHEMBL12701011 0.82 OPRL1 (0.40) RPS6KB1P2RX7OPRL1ALDH1A1ACHE
SCHEMBL15129656 0.80 RPS6KB1 (0.46) RPS6KB1P2RX7OPRL1ALDH1A1ACHE
SCHEMBL16460689 0.78 P2RX7 (0.39) P2RX7OPRL1ALDH1A1
SCHEMBL12701210 0.77 P2RX7 (0.57) RPS6KB1P2RX7
SCHEMBL12701269 0.77 P2RX7 (0.42) P2RX7OPRL1ALDH1A1ACHE
SCHEMBL12701377 0.77 OPRL1 (0.40) RPS6KB1OPRL1ALDH1A1ACHESMN1; SMN2
SCHEMBL12701432 0.76 OPRL1 (0.39) RPS6KB1P2RX7OPRL1ALDH1A1ACHE

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 RPS6KB1 1281/4885P2RX7 1/4885OPRL1 83/4885

“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.