SCHEMBL957774

SCHEMBL957774

C=CCC(O)(CCN(C(=O)O)[C@@H](CC)c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15355335 0.89 PMP22 (0.32) GAATRPM8ALDH1A1L3MBTL1
SCHEMBL15355334 0.89 PMP22 (0.32) GAATRPM8ALDH1A1L3MBTL1
SCHEMBL15355336 0.89 PMP22 (0.32) GAATRPM8ALDH1A1L3MBTL1
SCHEMBL957772 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL15368372 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL957773 0.78 KCNN4 (0.33) ALDH1A1L3MBTL1
SCHEMBL116412 0.77 OPRM1 (0.33) GAATRPM8OPRM1OPRD1L3MBTL1
SCHEMBL957547 0.72 PTPN1 (0.37) TRPM8OPRM1OPRD1ALDH1A1
SCHEMBL3641776 0.72 FAAH (0.33) GAAOPRM1ALDH1A1
SCHEMBL13953567 0.71

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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 GAA 1359/4885TRPM8 4861/4885OPRM1 4267/4885

“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.