SCHEMBL3019601

SCHEMBL3019601

c1ccc2c(c1)CC(N1CC3CNCC3C1)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.48
HTR2C P28335 8/20 0.44
HTR2B P41595 8/20 0.44
HTR2A P28223 7/20 0.44
GRIN2B Q13224 2/20 0.43
CHRNA7 P36544 3/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3886033 0.77 BPTF (0.45) BPTFHTR2CHTR2BHTR2ACHRNB2
SCHEMBL3886031 0.77 BPTF (0.45) BPTFHTR2CHTR2BHTR2ACHRNB2
SCHEMBL3886029 0.77 BPTF (0.45) BPTFHTR2CHTR2BHTR2ACHRNB2
SCHEMBL3887869 0.77 BPTF (0.45) BPTFHTR2CHTR2BHTR2ACHRNB2
SCHEMBL6646375 0.72 GRIN2B (0.55) HTR2CHTR2BHTR2AGRIN2BALDH1A1
SCHEMBL4696472 0.72 ALDH1A1 (0.49) GRIN2BCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL24490876 0.71 CCR5 (0.44) BPTFCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL17304817 0.71 GRIN2B (0.44) HTR2AGRIN2BALDH1A1KDM4ENPSR1
Hydrochloric Acid SCHEMBL2224880 0.71 HPGD (0.54) HTR2CHTR2BHTR2AGRIN2BALDH1A1
SCHEMBL17294969 0.71 GRIN2B (0.44) HTR2AGRIN2BALDH1A1KDM4ENPSR1

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 BPTF 3835/4885HTR2C 496/4885HTR2B 314/4885

“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.