SCHEMBL917195

SCHEMBL917195

O=C(Cl)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 7/20 0.69
CACNA2D1 P54289 5/20 0.63
CACNB1 Q02641 5/20 0.63
CACNA1B Q00975 4/20 0.63
CACNA1C Q13936 3/20 0.61
CACNA1G O43497 1/20 0.61
SLC6A9 P48067 1/20 0.60
MGLL Q99685 2/20 0.59
CACNA1A O00555 1/20 0.59
ABHD6 Q9BV23 1/20 0.59
TACR3 P29371 1/20 0.57

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
SCHEMBL917471 0.85 CACNA2D1 (0.59) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL17281595 0.85 GPX4 (0.68) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL917665 0.84 KMT2A (0.70) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL24496176 0.81 GPX4 (1.00) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL13309468 0.80 KMT2A (0.82) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL16769444 0.80 KMT2A (0.82) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL24496402 0.80 GPX4 (0.64) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5013971 0.79 CNR1 (0.68) GPX4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3395395 0.78 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL24496348 0.77 GPX4 (0.70) GPX4CACNA2D1CACNB1CACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-9981972-B2 N-hydroxy bicyclic hydantoin carbamates as tools for identification of serine hydrolase targets ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS H. LUNDBECK A/S (DK) 2017-06-29 US disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
WO-2015179563-A2 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR IDENTIFICATION OF SERINE HYDROLASE TARGETS ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2828253-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2015-01-28 EP disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 US disclosed
US-7868007-B2 Triazolopyridine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 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 (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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 GPX4 753/4885CACNA2D1 3697/4885CACNB1 3770/4885
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 GPX4 1580/4885CACNA2D1 489/4885CACNB1 643/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 GPX4 1580/4885CACNA2D1 489/4885CACNB1 643/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 GPX4 753/4885CACNA2D1 3697/4885CACNB1 3770/4885
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS HPN, BCHE, PRSS1 GPX4 3363/4885CACNA2D1 3973/4885CACNB1 2863/4885
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME CPS1, FABP4, VHL GPX4 1268/4885CACNA2D1 2152/4885CACNB1 1426/4885

“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.