SCHEMBL3017767

SCHEMBL3017767

O=C(Cc1ccc(Oc2ccccc2)cc1)N1CC2CC1CN2C1Cc2ccc(F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LTA4H P09960 2/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
BRS3 P32247 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
S1PR1 P21453 2/20 0.35
CYP2C9 P11712 1/20 0.34
SRD5A2 P31213 1/20 0.34
MAPK14 Q16539 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL3022615 0.88 SMN1; SMN2 (0.41) TP53LTA4HLMNAROCK2ROCK1
SCHEMBL3028365 0.86 HRH3 (0.44) LTA4HEPHX2MAPK14CCR3
SCHEMBL3007280 0.86 SMN1; SMN2 (0.43) TP53LTA4HEPHX2LMNASMN1; SMN2
SCHEMBL3022685 0.83 NPY5R (0.43) LTA4HFAAH
SCHEMBL3022442 0.81 LIPG (0.41) LMNACYP3A4MAPK14
SCHEMBL4694626 0.78 PSEN1 (0.33) FAAHCCR3
SCHEMBL3028509 0.78 LHCGR (0.40) FAAHEPHX2CYP2C9
SCHEMBL3024925 0.77 OPRD1 (0.42) SMN1; SMN2
SCHEMBL3023606 0.76 NAMPT (0.43) FAAH
SCHEMBL3024734 0.74 CFTR (0.45) FAAH

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 TP53 4803/4885LTA4H 317/4885POLB 4577/4885

“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.