SCHEMBL3214130

SCHEMBL3214130

OCC1COc2cc(Cl)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 9/20 0.37
TRPM4 Q8TD43 6/20 0.37
GAA P10253 1/20 0.37
MAP3K14 Q99558 2/20 0.36
ALPL P05186 2/20 0.36
RIPK1 Q13546 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CHEK1 O14757 1/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL27663129 0.88 CHEK1 (0.42) TRPM5TRPM4GAAALPLCA2
SCHEMBL20804518 0.84 AR (0.40) GAAMAP3K14ALPLRIPK1CA2
SCHEMBL17363934 0.82 NR3C1 (0.42) RIPK1
SCHEMBL17363948 0.82 NR3C1 (0.42) RIPK1
SCHEMBL17363890 0.82 NR3C1 (0.42) RIPK1
SCHEMBL24776144 0.81 GAA (0.37) GAAALPLCA2
SCHEMBL3587070 0.81 GAA (0.37) GAA
SCHEMBL13544000 0.81 GAA (0.37) GAA
SCHEMBL3587072 0.81 GAA (0.37) GAA
SCHEMBL3591700 0.81 GAA (0.37) GAA

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R TRPM5 695/4885TRPM4 847/4885GAA 3565/4885

“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.