SCHEMBL9891929

SCHEMBL9891929

CC(C)C(=O)Nc1cc(C(F)(F)F)no1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
MAPK14 Q16539 5/20 0.49
ALDH1A1 P00352 1/20 0.49
IDO1 P14902 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 7/20 0.42
CNR1 P21554 4/20 0.42
MLYCD O95822 2/20 0.40

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
SCHEMBL9891808 0.85 ALDH1A1 (0.67) MAPK14ALDH1A1CNR2CNR1
SCHEMBL10171265 0.84 ALDH1A1 (0.53) MAPK14ALDH1A1CNR2CNR1
SCHEMBL8764313 0.83 EPHX2 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9891815 0.81 CNR2 (0.54) MAPK14ALDH1A1CNR2CNR1
SCHEMBL12566646 0.81 ALDH1A1 (0.50) EPHX2MAPK14ALDH1A1CNR2CNR1
SCHEMBL13413814 0.81 ALDH1A1 (0.50) EPHX2MAPK14ALDH1A1CNR2CNR1
SCHEMBL14693072 0.81 ALDH1A1 (0.50) MAPK14ALDH1A1CNR2CNR1
SCHEMBL9891522 0.81 ALDH1A1 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL4284384 0.80 EPHX2 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9892898 0.79 EPHX2 (0.50) EPHX2MAPK14ALDH1A1IDO1SMN1; SMN2

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX2 2014/4885MAPK14 1949/4885ALDH1A1 3279/4885

“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.