SCHEMBL693639

SCHEMBL693639

Cc1[c]ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.45
CYP1A2 P05177 1/20 0.43
COMT P21964 1/20 0.42
KCNH2 Q12809 2/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL695812 0.83 NOTUM (0.47) NOTUMCYP1A2PDE3BPDE3A
SCHEMBL2698021 0.80 NOTUM (0.61) NOTUMCYP1A2COMTPDE3BPDE3A
SCHEMBL700817 0.80 NOTUM (0.51) NOTUMCYP1A2PDE3BPDE3ACTSS
SCHEMBL12508243 0.78 AR (0.57) NOTUMCYP1A2COMTKCNH2RAPGEF4
SCHEMBL147631 0.76 KIF11 (0.45) CYP1A2KDM4E
SCHEMBL4439265 0.75 PDE2A (0.39) NOTUMCYP1A2CTSSCTSK
SCHEMBL6190565 0.75 NOTUM (0.42) NOTUMCYP1A2COMTPDE3BPDE3A
SCHEMBL694738 0.75 PTGS2 (0.40) KCNH2RAPGEF4
SCHEMBL1939273 0.74 ALDH1A1 (0.31)
SCHEMBL512419 0.73 ALOX5 (0.42) CYP1A2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US disclosed
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS UNIVERSITÉ PARIS CITÉ (FR) 2017-08-24 US disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP NOTUM 86/4885CYP1A2 878/4885COMT 1470/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NOTUM 173/4885CYP1A2 544/4885COMT 1786/4885
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS LIPA, MGLL, PNLIP NOTUM 86/4885CYP1A2 878/4885COMT 1470/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP NOTUM 85/4885CYP1A2 817/4885COMT 1487/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NOTUM 173/4885CYP1A2 544/4885COMT 1786/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NOTUM 173/4885CYP1A2 544/4885COMT 1786/4885

“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.