SCHEMBL692953

SCHEMBL692953

FC1(F)CCN(c2nc3cc[c]cc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.43
NPC1 O15118 10/20 0.43
RAB9A P51151 10/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
DDB1 Q16531 2/20 0.39
NPY5R Q15761 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL715696 0.80 RAB9A (0.63) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15958973 0.72 NPC1 (0.49) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL693271 0.71 SMN1; SMN2 (0.67) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6840330 0.70 RAB9A (0.56) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20296434 0.69 SMN1; SMN2 (0.54) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18344255 0.67 DPP4 (0.37) CRBN
SCHEMBL693934 0.66 PCSK9 (0.61) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18344104 0.65 CRBN (0.49) CRBNNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL693730 0.65 GAA (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL145436 0.65 KDM4E (0.30) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (2 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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CRBN 3253/4885NPC1 187/4885RAB9A 851/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CRBN 3253/4885NPC1 187/4885RAB9A 851/4885

“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.