SCHEMBL1799448

SCHEMBL1799448

COCNC(=O)C1CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
DGAT2 Q96PD7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FFAR1 O14842 6/20 0.45
EPHX2 P34913 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL1796938 1.00 KCNH2 (0.49) KCNH2POLBHTTDGAT2ALDH1A1
SCHEMBL5683628 0.85 ALDH1A1 (0.49) POLBHTTDGAT2ALDH1A1CYP1A2
SCHEMBL20380102 0.83 ALDH1A1 (0.52) HTTDGAT2ALDH1A1CYP1A2CYP3A4
SCHEMBL19403679 0.83 MEN1 (0.51) KCNH2POLBHTTDGAT2ALDH1A1
SCHEMBL5675747 0.82 ALDH1A1 (0.49) DGAT2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1797122 0.80 SLC6A2 (0.52) KCNH2POLBDGAT2ALDH1A1FFAR1
SCHEMBL15091848 0.80 SLC6A2 (0.52) KCNH2POLBDGAT2ALDH1A1FFAR1
SCHEMBL4206073 0.77 SLC6A3 (0.47) POLBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL3974256 0.76 MC4R (0.56) KCNH2POLBALDH1A1EPHX2SIGMAR1
SCHEMBL5675819 0.75 ALDH1A1 (0.45) DGAT2ALDH1A1SIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KCNH2 461/4885POLB 3655/4885HTT 4740/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KCNH2 461/4885POLB 3655/4885HTT 4740/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KCNH2 461/4885POLB 3655/4885HTT 4740/4885

“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.