SCHEMBL20128418

SCHEMBL20128418

CCCc1cc(F)c(C2CC(C)(C)N(O)C(C)(C)C2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.31
TRPV6 Q9H1D0 2/20 0.30
TRPA1 O75762 1/20 0.30
HTR1A P08908 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
TRPV5 Q9NQA5 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
TRPV2 Q9Y5S1 1/20 0.30

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
SCHEMBL20128537 0.89 ACE2 (0.41) ACE2CNR1CNR2
SCHEMBL20126356 0.87 PKM (0.30)
SCHEMBL20128695 0.76 CHKA (0.40) CNR1CNR2
SCHEMBL20128534 0.74
SCHEMBL20126358 0.74 CHKA (0.36) CNR1CNR2
SCHEMBL20129394 0.74 CHKA (0.37) CNR1CNR2
SCHEMBL20126369 0.74 CHKA (0.36) CNR1CNR2
SCHEMBL9561463 0.74 PKM (0.31)
SCHEMBL18215487 0.72
SCHEMBL18214097 0.71

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 ACE2 3082/4885TRPV6 1100/4885TRPA1 72/4885

“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.