SCHEMBL804348

SCHEMBL804348

COc1ccccc1OCCCCOc1ccc2c(c1)CN(C1CCCC1)C2=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.52
SCN5A Q14524 4/20 0.52
SCN9A Q15858 4/20 0.52
MAOA P21397 2/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
WIZ O95785 1/20 0.44
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL787023 0.86 CYP2C9 (0.49) MAOACYP2C9ADRA1AHRH1
SCHEMBL31409498 0.81 HTR2A (0.53) SCN1ASCN5ASCN9AMAOACYP2C9
SCHEMBL804658 0.79 CYP2C9 (0.64) MAOACYP2C9ADRA1AHRH1
SCHEMBL787526 0.73 CYP2C9 (0.66) CYP2C9ADRA1AHRH1
SCHEMBL787515 0.73 CYP2C9 (0.57) MAOACYP2C9ADRA1AHRH1
SCHEMBL787655 0.73 CYP2C9 (0.75) MAOACYP2C9ADRA1AHRH1
SCHEMBL804299 0.72 MPI (0.67) CYP2C9
SCHEMBL787025 0.72 CYP2C9 (0.79) CYP2C9ADRA1AHRH1
SCHEMBL804221 0.72 CYP2C9 (0.67) CYP2C9ADRA1AHRH1
SCHEMBL31409541 0.72 MAOA (0.59) MAOACYP2C9ADRA1AHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C SCN1A 662/4885SCN5A 993/4885SCN9A 742/4885

“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.