SCHEMBL9891902

SCHEMBL9891902

CC(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GLA P06280 2/20 0.64
CES2 O00748 1/20 0.64
ABCB11 O95342 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
TBXA2R P21731 1/20 0.64
AADAC P22760 1/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
HTT P42858 1/20 0.64
HTR6 P50406 1/20 0.64

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
SCHEMBL9891897 0.89 ALDH1A1 (0.62) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11879435 0.87 ALDH1A1 (0.68) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15061100 0.84 ALDH1A1 (0.64) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29792805 0.83 ALDH1A1 (0.63) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11511196 0.83 ALDH1A1 (0.63) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11511304 0.83 ALDH1A1 (0.63) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10819632 0.83 PDK1 (0.76) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11511219 0.83 LMNA (0.63) ARCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL463590 0.82 AR (0.62) ARALDH1A1SMN1; SMN2GRM4KMT2A
SCHEMBL2608928 0.82 KDM4E (0.58) ARCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
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
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 AR 903/4885CYP1A2 1529/4885CYP2C9 1894/4885

“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.