SCHEMBL9892898

SCHEMBL9892898

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
MAPK14 Q16539 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 3/20 0.45
LMNA P02545 1/20 0.43
CNR2 P34972 10/20 0.43
CNR1 P21554 5/20 0.43
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL26789822 0.92 ALDH1A1 (0.53) EPHX2MAPK14ALDH1A1SMN1; SMN2LMNA
SCHEMBL9892786 0.86 ALDH1A1 (0.65) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL14647382 0.84 ALDH1A1 (0.51) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL8764313 0.82 EPHX2 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9892942 0.82 CNR2 (0.53) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL12566533 0.81 ALDH1A1 (0.48) EPHX2MAPK14ALDH1A1SMN1; SMN2LMNA
SCHEMBL9891929 0.79 EPHX2 (0.51) EPHX2MAPK14ALDH1A1SMN1; SMN2IDO1
SCHEMBL9891522 0.79 ALDH1A1 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL4284384 0.79 EPHX2 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9892893 0.79 CNR2 (0.55) MAPK14ALDH1A1SMN1; SMN2LMNACNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EPHX2 1060/4885MAPK14 1715/4885ALDH1A1 1724/4885

“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.