SCHEMBL3970841

SCHEMBL3970841

O=CN1CC(c2cccc(OC(F)(F)F)c2)CC(c2nc(-c3cnccn3)no2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
KCNH2 Q12809 1/20 0.44
GRM5 P41594 3/20 0.42
SCD5 Q86SK9 1/20 0.36
ABL1 P00519 1/20 0.36
CNR1 P21554 2/20 0.35
F2R P25116 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SCN9A Q15858 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK1A Q13627 1/20 0.34
CNR2 P34972 1/20 0.34
EGFR P00533 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL3970569 0.90 F2R (0.44) EPHX2KCNH2GRM5SCD5ABL1
SCHEMBL1581145 0.83 EPHX2 (0.48) EPHX2KCNH2GRM5CNR1F2R
SCHEMBL10234613 0.81 F2R (0.48) EPHX2KCNH2GRM5CNR1F2R
SCHEMBL3969596 0.75 F2R (0.47) GRM5CNR1F2RTMEM97ALDH1A1
SCHEMBL3972754 0.75 GRM5 (0.48) GRM5CNR1F2RTMEM97
SCHEMBL1580726 0.73 F2R (0.58) EPHX2KCNH2GRM5ABL1CNR1
SCHEMBL3975115 0.73 EPHX2 (0.55) EPHX2KCNH2GRM5NPC1ALDH1A1
SCHEMBL641076 0.71 F2R (0.56) EPHX2KCNH2GRM5CNR1F2R
SCHEMBL2963821 0.71 F2R (0.50) EPHX2KCNH2CNR1F2RTMEM97
Hydrochloric Acid SCHEMBL3973429 0.70 F2R (0.49) EPHX2KCNH2CNR1F2RTMEM97

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 EPHX2 1595/4885KCNH2 1272/4885GRM5 1833/4885

“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.