SCHEMBL13629002

SCHEMBL13629002

CCOC(=N)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAOB P27338 5/20 0.48
AOC3 Q16853 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PPARD Q03181 2/20 0.43
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
IDH1 O75874 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM4 Q14833 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WDR5 P61964 1/20 0.41

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
Hydrochloric Acid SCHEMBL4433395 0.98 ALDH1A1 (0.48) ALDH1A1MAOBAOC3TRPM8CYP1A1
SCHEMBL5279675 0.81 GAA (0.60) ALDH1A1MAOBTRPM8CYP1A1CYP1B1
SCHEMBL11077869 0.78 ALOX15 (0.48) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL23605965 0.77 GAA (0.56) ALDH1A1MAOBTRPM8CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL2826316 0.77 PMP22 (0.47) ALDH1A1LMNAMAPTL3MBTL1WDR5
SCHEMBL8237725 0.77 NQO1 (0.64) ALDH1A1MAOBAOC3CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL2983751 0.76 ALOX15 (0.47) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL22868083 0.76 WDR5 (0.59) ALDH1A1MAOBAOC3PPARDGRM4
SCHEMBL13603746 0.73 PPARD (0.54) ALDH1A1MAOBAOC3TRPM8CYP1A1
Hydrochloric Acid SCHEMBL11539234 0.73 PMP22 (0.43) MAOBSMN1; SMN2LMNAMAPTL3MBTL1

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-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 ALDH1A1 747/4885MAOB 1031/4885AOC3 2967/4885

“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.