SCHEMBL916928

SCHEMBL916928

O=C(N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)n1nnc2ncccc21

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.81
FAAH O00519 8/20 0.58
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
DGKI O75912 1/20 0.45
DGKA P23743 1/20 0.45
DGKZ Q13574 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 1/20 0.41
FAP Q12884 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL917630 0.90 MGLL (1.00) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL916475 0.89 MGLL (0.81) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL13246559 0.82 MGLL (0.74) MGLLFAAH
SCHEMBL916798 0.82 MGLL (0.55) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL13246546 0.80 MGLL (0.81) MGLLFAAHKDM4EMAPTHPGD
SCHEMBL916881 0.80 MGLL (0.73) MGLLFAAH
SCHEMBL31023668 0.79 MGLL (0.65) MGLLFAAHKDM4EMAPTHPGD
SCHEMBL13246548 0.77 MGLL (0.73) MGLLFAAHKDM4EMAPTKMT2A
SCHEMBL3231181 0.76 MGLL (0.65) MGLLFAAH
Hydrochloric Acid SCHEMBL916978 0.75 MGLL (0.63) MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868007-B2 Triazolopyridine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-11 US claimed
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 707/4885CACNA2D1 489/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 MGLL 3483/4885FAAH 707/4885CACNA2D1 489/4885

“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.