SCHEMBL903153

SCHEMBL903153

Bc1cnc(-c2c(C3CCCC3)c3ccc(C(=O)O)cc3n2C)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.48
HTR2A P28223 1/20 0.44
CYP3A4 P08684 11/20 0.43
CYP2C19 P33261 11/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 1/20 0.41
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL904335 0.89 SCN9A (0.48) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL5517804 0.89 HTR2A (0.52) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL13006934 0.81 SCN9A (0.49) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL10063545 0.81 SCN9A (0.42) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL4431910 0.81 CYP3A4 (0.58) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL6368381 0.80 SCN9A (0.48) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL4431788 0.80 CYP3A4 (0.60) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL1260727 0.80 CYP3A4 (0.61) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL14452260 0.79 CYP3A4 (0.59) SCN9AHTR2ACYP3A4CYP2C19CYP2C9
SCHEMBL1261240 0.79 CYP3A4 (0.62) SCN9ACYP3A4CYP2C19CYP2C9CYP2D6

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-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
WO-2012044520-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 SCN9A 3837/4885HTR2A 4114/4885CYP3A4 2427/4885

“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.