SCHEMBL1799795

SCHEMBL1799795

CCOC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC18A2 Q05940 1/20 0.46
ATM Q13315 1/20 0.46
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 5/20 0.43
HTR2C P28335 1/20 0.43
CNR1 P21554 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR88 Q9GZN0 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
SCHEMBL6082093 1.00 KDM4E (0.47) KDM4EALDH1A1SLC18A2ATMKCNH2
SCHEMBL2934392 1.00 KDM4E (0.47) KDM4EALDH1A1SLC18A2ATMKCNH2
SCHEMBL1798877 1.00 KDM4E (0.47) KDM4EALDH1A1SLC18A2ATMKCNH2
SCHEMBL1800153 1.00 KDM4E (0.47) KDM4EALDH1A1SLC18A2ATMKCNH2
SCHEMBL1473143 0.88 MAPT (0.41) KDM4EALDH1A1SLC18A2ATMMAPT
SCHEMBL1833981 0.87 SLC6A2 (0.50) ALDH1A1MAPTPKMGPR88
SCHEMBL15805066 0.84 SLC18A2 (0.50) ALDH1A1SLC18A2HTR2CMAPTPKM
SCHEMBL1011144 0.84 SLC18A2 (0.50) ALDH1A1SLC18A2HTR2CMAPTPKM
SCHEMBL15797739 0.84 SLC18A2 (0.50) ALDH1A1SLC18A2HTR2CMAPTPKM
SCHEMBL15805101 0.84 SLC18A2 (0.50) ALDH1A1SLC18A2HTR2CMAPTPKM

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 7 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
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO 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 KDM4E 2796/4885ALDH1A1 528/4885SLC18A2 937/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 KDM4E 2796/4885ALDH1A1 528/4885SLC18A2 937/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 KDM4E 2796/4885ALDH1A1 528/4885SLC18A2 937/4885

“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.