SCHEMBL692954

SCHEMBL692954

Ic1c[c]ccc1NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
IDO1 P14902 3/20 0.40
BACE1 P56817 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.37
FABP1 P07148 1/20 0.36
FABP6 P51161 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL28990840 0.79 KDM4E (0.45) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL27641924 0.79 BACE1 (0.46) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL2320795 0.77 HSD17B10 (0.59) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL27947064 0.76 HDAC1 (0.46) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL27742641 0.76 HDAC1 (0.46) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL9353766 0.73 HSD17B10 (0.42) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL2675694 0.70 MAPT (0.54) CYP3A4MAPTHTTALDH1A1CYP1A2
SCHEMBL4571036 0.70 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL30464743 0.70 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL694416 0.70 HTT (0.59) KDM4ECYP3A4MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US claimed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124114-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 (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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD17B10 179/4885KDM4E 1931/4885HPGD 731/4885
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR EDNRA, EDNRB, GLP1R HSD17B10 3750/4885KDM4E 1731/4885HPGD 2985/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD17B10 179/4885KDM4E 1931/4885HPGD 731/4885

“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.