SCHEMBL4884700

SCHEMBL4884700

FC(F)(F)c1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
NPBWR1 P48145 1/20 0.55
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
DGAT1 O75907 1/20 0.52
KCNH2 Q12809 1/20 0.52
KIF11 P52732 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
MAPT P10636 4/20 0.46
CYP19A1 P11511 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
SCN2A Q99250 3/20 0.45

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
SCHEMBL15058606 0.87 CYP19A1 (0.58) NPC1RAB9ANPBWR1CASP3SENP8
SCHEMBL17548599 0.85 PTGDR2 (0.46) NPC1RAB9ANPBWR1DGAT1KCNH2
SCHEMBL4568271 0.82 CYP19A1 (0.62) NPC1NPBWR1DGAT1KCNH2KIF11
SCHEMBL30047184 0.81 NPC1 (0.65) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4893046 0.81 NPC1 (0.65) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL22803978 0.79 MTOR (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL28922736 0.78 TNKS (0.52) NPBWR1DGAT1KCNH2KIF11MAPT
SCHEMBL4568265 0.78 CDK5 (0.41) NPBWR1DGAT1KCNH2KIF11PTGDR2
SCHEMBL29206324 0.78 CDK5 (0.55) NPC1RAB9ANPBWR1DGAT1KCNH2
SCHEMBL12124985 0.78 NPC1 (0.75) NPC1RAB9ACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
EP-3186225-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS The Governing Council of the University of Toronto (CA) 2017-07-05 EP disclosed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 WO disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 WO disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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 (4 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 NPC1 3955/4885RAB9A 1761/4885NPBWR1 4432/4885
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 NPC1 576/4885RAB9A 1328/4885NPBWR1 135/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN NPC1 1583/4885RAB9A 444/4885NPBWR1 1458/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 NPC1 576/4885RAB9A 1328/4885NPBWR1 135/4885

“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.