SCHEMBL916649

SCHEMBL916649

O=C(N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)n1nnc2ncc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.58
FAAH O00519 2/20 0.53
GPX4 P36969 5/20 0.48
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
TACR3 P29371 1/20 0.44
CACNA2D1 P54289 5/20 0.44
CACNB1 Q02641 5/20 0.44
CACNA1B Q00975 4/20 0.44
CACNA1C Q13936 3/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1A O00555 1/20 0.43
ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL916798 0.93 MGLL (0.55) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL917124 0.92 MGLL (0.69) MGLLFAAHTACR3CACNA2D1CACNB1
SCHEMBL916475 0.84 MGLL (0.81) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL3016226 0.77 HPGD (0.42) MGLLFAAH
SCHEMBL917630 0.74 MGLL (1.00) MGLLFAAHCACNA2D1CACNB1CACNA1B
SCHEMBL916928 0.73 MGLL (0.81) MGLLFAAHCACNA2D1CACNB1CACNA1B
SCHEMBL31023838 0.70 MGLL (0.60) MGLLFAAHGPX4
SCHEMBL17276651 0.70 GPX4 (0.56) MGLLFAAHGPX4CYP3A4CYP3A5
SCHEMBL917195 0.69 GPX4 (0.69) MGLLGPX4TACR3CACNA2D1CACNB1
SCHEMBL31023805 0.69 MGLL (0.48) MGLLFAAHGPX4TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 US claimed
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
EP-2146991-B1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-28 EP disclosed
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2146991-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145842-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 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-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 MGLL 3483/4885FAAH 707/4885GPX4 1580/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 MGLL 3483/4885FAAH 707/4885GPX4 1580/4885

“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.