SCHEMBL1797122

SCHEMBL1797122

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR1 P21554 4/20 0.47
KCNH2 Q12809 2/20 0.43
FFAR1 O14842 5/20 0.43
DGAT2 Q96PD7 1/20 0.43
HTR2C P28335 1/20 0.43
IDO1 P14902 1/20 0.43
SLC6A4 P31645 1/20 0.43
EPHX2 P34913 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
SCHEMBL15091848 1.00 SLC6A2 (0.52) SLC6A2KDM4EALDH1A1POLBGAA
SCHEMBL6082093 0.84 KDM4E (0.47) KDM4EALDH1A1CNR1KCNH2FFAR1
SCHEMBL1800153 0.84 KDM4E (0.47) KDM4EALDH1A1CNR1KCNH2FFAR1
SCHEMBL1798877 0.84 KDM4E (0.47) KDM4EALDH1A1CNR1KCNH2FFAR1
SCHEMBL1799795 0.84 KDM4E (0.47) KDM4EALDH1A1CNR1KCNH2FFAR1
SCHEMBL2934392 0.84 KDM4E (0.47) KDM4EALDH1A1CNR1KCNH2FFAR1
SCHEMBL23550026 0.82 HTR2C (0.46) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL19403737 0.82 HTR2C (0.46) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL23550049 0.82 HTR2C (0.46) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL19403677 0.82 HTR2C (0.46) KDM4EALDH1A1POLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
CN-101511797-B Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV 2013-01-02 CN disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190344-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
CN-101511797-A Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN 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 (6 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 SLC6A2 1466/4885KDM4E 2796/4885ALDH1A1 528/4885
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC SLC6A2 357/4885KDM4E 1216/4885ALDH1A1 1740/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SLC6A2 42/4885KDM4E 3433/4885ALDH1A1 2159/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT SLC6A2 42/4885KDM4E 3433/4885ALDH1A1 2159/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 SLC6A2 1466/4885KDM4E 2796/4885ALDH1A1 528/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 SLC6A2 1466/4885KDM4E 2796/4885ALDH1A1 528/4885

“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.