SCHEMBL3970569

SCHEMBL3970569

O=CN1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3cnccn3)no2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.44
CNR1 P21554 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
EPHX2 P34913 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM5 P41594 3/20 0.36
ABL1 P00519 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD5 Q86SK9 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 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
SCHEMBL3970841 0.90 EPHX2 (0.44) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL3969596 0.83 F2R (0.47) F2RCNR1TMEM97GRM5ALDH1A1
SCHEMBL1580726 0.82 F2R (0.58) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL2963821 0.81 F2R (0.50) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL641076 0.80 F2R (0.56) F2RCNR1TMEM97EPHX2KCNH2
Hydrochloric Acid SCHEMBL3973429 0.80 F2R (0.49) F2RCNR1TMEM97EPHX2KCNH2
SCHEMBL3971593 0.80 F2R (0.65) F2RCNR1TMEM97TRPA1
SCHEMBL3972754 0.79 GRM5 (0.48) F2RCNR1TMEM97GRM5
SCHEMBL2965835 0.79 F2R (0.48) F2RCNR1TMEM97EPHX2TRPA1
Hydrochloric Acid SCHEMBL3974288 0.78 F2R (0.47) F2RCNR1TMEM97EPHX2TRPA1

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 F2R 698/4885CNR1 454/4885TMEM97 1110/4885

“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.