SCHEMBL4388023

SCHEMBL4388023

COC(=O)c1ccc2c(c1)c(F)cn2-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 1/20 0.53
SCN1A P35498 1/20 0.53
SCN1B Q07699 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
KCNH2 Q12809 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL142321 0.90 DGAT2 (0.51) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL3972960 0.85 ALDH1A1 (0.59) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL2610315 0.85 KCNH2 (0.56) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL2610317 0.83 RORC (0.52) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL3971220 0.82 KCNH2 (0.47) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL20166497 0.80 HSD17B10 (0.52) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL28556409 0.80 FGFR1 (0.45) SCN2BSCN1BSCN5ASCN9AKMT2A
SCHEMBL149014 0.77 KDM4E (0.54) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL144945 0.75 FGFR1 (0.77) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL18002655 0.75 KDM4E (0.54) SCN9AKCNH2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US disclosed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US disclosed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 US disclosed
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 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 (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-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL SCN2B 2015/4885SCN1A 1269/4885SCN1B 960/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL SCN2B 2015/4885SCN1A 1269/4885SCN1B 960/4885

“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.