SCHEMBL14239303

SCHEMBL14239303

C=C1OB(c2ccc(C#N)c(Cl)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
AR P10275 13/20 0.34
CYP11B2 P19099 2/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL13100187 0.89
SCHEMBL12122742 0.85 TRPV4 (0.37) TRPV4CYP11B2
SCHEMBL14239237 0.83 AR (0.38) AR
SCHEMBL14711735 0.82 PGR (0.38) AR
SCHEMBL30015551 0.81 TRPV4 (0.43) TRPV4AR
SCHEMBL748654 0.81 TRPV4 (0.43) TRPV4AR
SCHEMBL3481500 0.80 XDH (0.37)
SCHEMBL13675126 0.78 CYP2A6 (0.34)
SCHEMBL10081565 0.77 ALDH1A1 (0.42) AR
SCHEMBL13474635 0.77 LPL (0.38)

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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 TRPV4 2781/4885AR 123/4885CYP11B2 4/4885

“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.