SCHEMBL18122015

SCHEMBL18122015

Cc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.73
SCN2A Q99250 8/20 0.68
HPGDS O60760 8/20 0.58
SMPD3 Q9NY59 1/20 0.51

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
SCHEMBL18122012 0.93 NPY5R (0.68) NPY5RSCN2AHPGDSSMPD3
SCHEMBL28542981 0.84 SCN2A (0.64) NPY5RSCN2AHPGDSSMPD3
SCHEMBL27843962 0.83 SCN2A (0.79) NPY5RSCN2AHPGDSSMPD3
SCHEMBL31660150 0.82 NPY5R (0.65) NPY5RSCN2AHPGDS
SCHEMBL26094809 0.82 NPY5R (0.65) NPY5RSCN2AHPGDS
SCHEMBL2174976 0.82 SCN2A (1.00) NPY5RSCN2AHPGDSSMPD3
SCHEMBL18122017 0.81 NPY5R (0.89) NPY5RHPGDS
SCHEMBL17283469 0.80 SCN2A (0.96) NPY5RSCN2AHPGDS
SCHEMBL18119999 0.80 SCN2A (0.74) NPY5RSCN2AHPGDS
SCHEMBL19198972 0.80 SCN2A (0.62) NPY5RSCN2AHPGDSSMPD3

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-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2016-10-06 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-20160289212-A1 HEPATITIS B ANTIVIRAL AGENTS ZC3HAV1, HAVCR2, SLC10A1 NPY5R 296/4885SCN2A 3990/4885HPGDS 1788/4885

“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.