SCHEMBL916475

SCHEMBL916475

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

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.81
▸ FAAH O00519 3/20 0.58
▸ CYP3A4 P08684 1/20 0.51
▸ CYP3A5 P20815 1/20 0.51
▸ GPX4 P36969 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ TACR3 P29371 1/20 0.47
▸ CACNA2D1 P54289 5/20 0.46
▸ CACNB1 Q02641 5/20 0.46
▸ CACNA1B Q00975 4/20 0.46
▸ CACNA1C Q13936 3/20 0.46
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1A O00555 1/20 0.46

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) MGLLFAAHKDM4ENPSR1CACNA2D1
SCHEMBL916928 0.89 MGLL (0.81) MGLLFAAHKDM4ENPSR1CACNA2D1
SCHEMBL13246487 0.85 MGLL (0.61) MGLLFAAH
SCHEMBL916649 0.84 MGLL (0.58) MGLLFAAHCYP3A4CYP3A5GPX4
SCHEMBL13246559 0.82 MGLL (0.74) MGLLFAAH
SCHEMBL13246483 0.81 MGLL (0.61) MGLLFAAH
SCHEMBL13246546 0.80 MGLL (0.81) MGLLFAAHKDM4ENPSR1
SCHEMBL916881 0.80 MGLL (0.73) MGLLFAAH
SCHEMBL917124 0.79 MGLL (0.69) MGLLFAAHKDM4ENPSR1TACR3
SCHEMBL31023668 0.79 MGLL (0.65) MGLLFAAHKDM4ENPSR1

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 707/4885CYP3A4 45/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 MGLL 3483/4885FAAH 707/4885CYP3A4 45/4885

“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.

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