SCHEMBL31696907

SCHEMBL31696907

O=C(C1CC1)N1CCC(F)(Cc2ccc(-c3cncc4ccccc34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.50
▸ CYP11B2 P19099 6/20 0.50
▸ ROCK2 O75116 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ CCNC P24863 5/20 0.43
▸ CDK8 P49336 5/20 0.43
▸ PRKCZ Q05513 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MYLK Q15746 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CILK1 Q9UPZ9 1/20 0.40
▸ CDK11A Q9UQ88 1/20 0.40
▸ WNT1 P04628 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CREBBP Q92793 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
SCHEMBL18321419 1.00 CYP11B1 (0.50) CYP11B1CYP11B2ROCK2NAMPTCCNC
SCHEMBL31696908 0.88 CYP11B2 (0.54) CYP11B1CYP11B2ROCK2NAMPTCCNC
SCHEMBL18321643 0.88 CYP11B2 (0.54) CYP11B1CYP11B2ROCK2NAMPTCCNC
SCHEMBL18321662 0.80 ALDH1A1 (0.41) PARP1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL31696872 0.80 OPRD1 (0.41) PARP1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL18321370 0.80 OPRD1 (0.41) PARP1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL18321467 0.78 FASN (0.53) ALDH1A1
SCHEMBL31696890 0.77 CYP11B1 (0.55) CYP11B1CYP11B2ROCK2NAMPTCCNC
SCHEMBL31696878 0.77 FASN (0.52) NAMPT
SCHEMBL18321750 0.77 FASN (0.52) NAMPT

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-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates CEPHALON LLC (US) 2025-10-14 — — US claimed

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-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates FASN, CES1, FADS2 CYP11B1 153/4885CYP11B2 270/4885ROCK2 4190/4885

“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.

Send feedback