SCHEMBL3330091

SCHEMBL3330091

Cc1ccc(OC[C@H]2CCCNC2)c(Oc2cc(F)c(F)cc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
CTSS P25774 1/20 0.42
IRAK4 Q9NWZ3 6/20 0.40
PIM1 P11309 3/20 0.40
PIM2 Q9P1W9 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
MAP2K1 Q02750 1/20 0.39
KDM1A O60341 1/20 0.39
SYK P43405 3/20 0.38
AURKB Q96GD4 3/20 0.38
KCNH2 Q12809 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38

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
SCHEMBL3329953 1.00 SCN9A (0.48) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3325572 0.90 SCN9A (0.46) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3325580 0.90 SCN9A (0.46) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3320864 0.89 SCN9A (0.44) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3324210 0.89 SCN9A (0.44) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3327108 0.88 SCN9A (0.43) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3327117 0.88 SCN9A (0.43) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3321328 0.87 SCN9A (0.43) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3321325 0.87 SCN9A (0.43) SCN9AIKBKBCHUKCTSSIRAK4
SCHEMBL3321349 0.86 IKBKB (0.42) SCN9AIKBKBCHUKCTSSIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 SCN9A 818/4885IKBKB 1359/4885CHUK 2338/4885

“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.