SCHEMBL3963620

SCHEMBL3963620

O=CN1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3cccnc3)no2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
S1PR1 P21453 2/20 0.48
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 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
SCHEMBL3970805 0.90 LMNA (0.48) GAAHTTLMNASMN1; SMN2GRM5
SCHEMBL3971052 0.89 SMN1; SMN2 (0.47) S1PR1KDM4ERAB9AEPHX2KCNH2
SCHEMBL1581530 0.84 PPARA (0.48) PPARAS1PR1KDM4ERAB9AL3MBTL1
SCHEMBL10233938 0.84 GRM5 (0.54) PPARAEPHX2KCNH2CACNA1CGRM5
SCHEMBL3975115 0.83 EPHX2 (0.55) RAB9AEPHX2KCNH2CACNA1CMAPK1
SCHEMBL642774 0.82 F2R (0.53) PPARAS1PR1EPHX2KCNH2CACNA1C
SCHEMBL1581268 0.81 F2R (0.53) PPARAEPHX2KCNH2CACNA1CMAPK1
SCHEMBL3970737 0.80 ENPP2 (0.40) EPHX2KCNH2GAAHTTLMNA
SCHEMBL641968 0.79 F2R (0.51) PPARAEPHX2KCNH2CACNA1CHTT
SCHEMBL2929652 0.79 LMNA (0.41) EPHX2KCNH2CACNA1CGAAHTT

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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 PPARA 21/4885S1PR1 860/4885KDM4E 3738/4885

“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.