SCHEMBL804711

SCHEMBL804711

O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1CO

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.81
CYP1A2 P05177 1/20 0.81
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
MPI P34949 1/20 0.47

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
SCHEMBL804389 0.89 CYP2C9 (0.82) CYP2C9CYP1A2ADRA1AHRH1MPI
SCHEMBL787273 0.89 CYP2C9 (0.82) CYP2C9CYP1A2ADRA1AHRH1MPI
SCHEMBL804227 0.89 CYP2C9 (1.00) CYP2C9CYP1A2ADRA1AHRH1
SCHEMBL787896 0.88 CYP2C9 (0.79) CYP2C9CYP1A2ADRA1AHRH1MPI
SCHEMBL787378 0.88 CYP2C9 (0.97) CYP2C9CYP1A2ADRA1AHRH1
SCHEMBL787623 0.88 CYP2C9 (0.88) CYP2C9CYP1A2ADRA1AHRH1MPI
SCHEMBL787090 0.87 CYP1A2 (0.79) CYP2C9CYP1A2MPI
SCHEMBL804282 0.86 CYP1A2 (0.77) CYP2C9CYP1A2MPI
SCHEMBL804655 0.86 CYP2C9 (0.76) CYP2C9CYP1A2ADRA1AHRH1MPI
SCHEMBL787213 0.86 CYP2C9 (0.93) CYP2C9CYP1A2ADRA1AHRH1

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 CYP2C9 3909/4885CYP1A2 3286/4885ADRA1A 628/4885

“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.