SCHEMBL3024925

SCHEMBL3024925

O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CC1CN2C1CCc2ccc(F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.42
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.39
RORC P51449 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR5 Q9H228 1/20 0.35
TRPV1 Q8NER1 1/20 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
SCHEMBL3018503 0.88 OPRD1 (0.47) OPRD1KMT2AOPRK1PTGDR2S1PR5
SCHEMBL3019020 0.85 HSD11B1 (0.40) RORCS1PR5
SCHEMBL3022615 0.84 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL3026582 0.80 TRPM8 (0.44)
SCHEMBL3007280 0.78 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2
SCHEMBL3017767 0.77 TP53 (0.39) SMN1; SMN2
SCHEMBL4748618 0.76 DRD2 (0.36)
SCHEMBL3020628 0.76 TRPM8 (0.44)
SCHEMBL3025448 0.73 ELOVL6 (0.43) KMT2AS1PR5
SCHEMBL4694626 0.71 PSEN1 (0.33)

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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A OPRD1 68/4885KMT2A 3054/4885OPRK1 89/4885

“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.