SCHEMBL324436

SCHEMBL324436

CC(=O)OCc1nnnn1-c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PFKFB3 Q16875 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 3/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGS2 P35354 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL323458 0.81 NOTUM (0.51) PKMHTTNLRP3ALDH1A1MAPT
SCHEMBL15168268 0.80 PKM (0.41) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL324435 0.79 MEN1 (0.44) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL10238837 0.79 AR (0.46)
SCHEMBL15169259 0.79 LMNA (0.39) LMNANOTUM
SCHEMBL15179388 0.76 MAPT (0.36) PKMHTTNLRP3ALDH1A1MAPT
SCHEMBL325945 0.75 ALDH1A1 (0.64) PKMHTTNLRP3ALDH1A1MAPT
SCHEMBL15179448 0.74 NPC1 (0.36) HTTALDH1A1MAPTLMNAKMT2A
SCHEMBL325360 0.71 AR (0.38) HSD11B1
SCHEMBL2659564 0.71 ALDH1A1 (0.58) HTTALDH1A1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP disclosed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 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-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 PKM 2418/4885HTT 1381/4885NLRP3 1573/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 PKM 2418/4885HTT 1381/4885NLRP3 1573/4885

“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.