SCHEMBL3022151

SCHEMBL3022151

O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CC2CN(C3Cc4ccccc4C3)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.53
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LIPE Q05469 1/20 0.44
POLB P06746 1/20 0.44
PAX8 Q06710 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NPY5R Q15761 1/20 0.43
CFTR P13569 1/20 0.43
PDGFRB P09619 1/20 0.43
HDAC2 Q92769 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL3026581 0.80 CYP3A4 (0.49) NPC1RAB9A
SCHEMBL3014163 0.79 GRIN2B (0.60) GRIN2B
SCHEMBL3022934 0.79 CFTR (0.44) GRIN2BNPC1RAB9ANPY5RCFTR
SCHEMBL3022138 0.76 NPY5R (0.45) GRIN2BNPC1RAB9ANPY5RCFTR
SCHEMBL3007703 0.74 GRIN2B (0.47) GRIN2BLIPEPDGFRB
SCHEMBL3314404 0.73 FAAH (0.55) GRIN2BNPY5RPDGFRB
SCHEMBL3026001 0.71 FAAH (0.67)
SCHEMBL3028509 0.71 LHCGR (0.40) GRIN2BCFTRPDGFRB
SCHEMBL3024734 0.71 CFTR (0.45) PAX8NPY5RCFTRPDGFRB
SCHEMBL3022685 0.71 NPY5R (0.43) GRIN2BNPY5RCFTRPDGFRB

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 GRIN2B 43/4885NPC1 916/4885RAB9A 1757/4885

“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.