SCHEMBL3025448

SCHEMBL3025448

O=C(c1ccc(C(F)(F)F)cc1)N1CC2CC1CN2C1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.43
F10 P00742 1/20 0.40
CTSD P07339 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
S1PR5 Q9H228 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 1/20 0.38
HSD11B1 P28845 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1B P49286 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DPP4 P27487 1/20 0.36
ITGAL P20701 1/20 0.36
SMO Q99835 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3019020 0.88 HSD11B1 (0.40) ELOVL6S1PR5GAATDP1MGLL
SCHEMBL3018814 0.84 NAMPT (0.49) ELOVL6TRPM8
SCHEMBL3018503 0.84 OPRD1 (0.47) CTSDS1PR5KMT2ASIGMAR1
SCHEMBL4751235 0.79 GRIN2B (0.43) TSHRMTNR1B
SCHEMBL3018805 0.77 NAMPT (0.53) ELOVL6TRPM8
SCHEMBL3026582 0.74 TRPM8 (0.44) TRPM8
SCHEMBL4695276 0.70 ALDH1A1 (0.38) MEN1TSHRKMT2A
SCHEMBL4748618 0.68 DRD2 (0.36) DPP4
SCHEMBL3022138 0.68 NPY5R (0.45) EPHX2TSHRKMT2ATRPM8SIGMAR1
SCHEMBL3007280 0.68 SMN1; SMN2 (0.43) EPHX2GAAMEN1KMT2A

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 3 patents. 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
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO 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 ELOVL6 562/4885F10 4212/4885CTSD 4629/4885

“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.