SCHEMBL4227342

SCHEMBL4227342

CC1CN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC(C)N1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LIPE Q05469 1/20 0.49
PANK3 Q9H999 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 8/20 0.44
NTRK1 P04629 7/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
MLNR O43193 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4223538 1.00 HRH3 (0.57) HRH3HPGDALDH1A1LIPEPANK3
SCHEMBL14491170 0.85 OPRD1 (0.51) HRH3LIPEOPRD1OPRK1KCNH2
SCHEMBL12225524 0.84 HRH3 (0.56) HRH3HPGDALDH1A1LIPEPANK3
SCHEMBL5449639 0.83 HRH3 (0.54) HRH3HPGDALDH1A1SMN1; SMN2OPRD1
SCHEMBL12225523 0.81 HRH3 (0.54) HRH3HPGDALDH1A1LIPEPANK3
SCHEMBL5446015 0.80 HRH3 (0.53) HRH3LIPEEPHX2
SCHEMBL5446019 0.80 HRH3 (0.53) HRH3LIPEEPHX2
SCHEMBL19506327 0.80 HRH3 (0.58) HRH3HPGDALDH1A1LIPEPANK3
SCHEMBL5443708 0.80 PTPRZ1 (0.46) HRH3HPGDALDH1A1SMN1; SMN2GAA
SCHEMBL5443712 0.80 PTPRZ1 (0.46) HRH3HPGDALDH1A1SMN1; SMN2GAA

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-20090143396-A1 Sulfonyl-Substituted Aryl Compounds as Modulators of Peroxisome Proliferator Activated Receptors MALECHA JAMES W 2009-06-04 US disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 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 (2 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-20090143396-A1 Sulfonyl-Substituted Aryl Compounds as Modulators of Peroxisome Proliferator Activated Receptors PPARG, PPARA, PPARD HRH3 2952/4885HPGD 675/4885ALDH1A1 972/4885
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA HRH3 4207/4885HPGD 1217/4885ALDH1A1 1775/4885

“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.