SCHEMBL327688

SCHEMBL327688

FC(F)(F)c1ccc(-n2nnnc2CCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CD274 Q9NZQ7 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PTGS2 P35354 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
AKR1C3 P42330 1/20 0.40
DRD3 P35462 2/20 0.39

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
Hydrochloric Acid SCHEMBL324412 0.99 CYP1A2 (0.53) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL324009 0.88 CYP1A2 (0.70) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL15167749 0.80 SIGMAR1 (0.42) CYP1A2CYP2C19LMNAALDH1A1L3MBTL1
SCHEMBL15167746 0.80 SIGMAR1 (0.42) CYP1A2CYP2C19LMNAALDH1A1L3MBTL1
SCHEMBL15169648 0.80 LMNA (0.36) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL10239576 0.79 CYP1A2 (0.37) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL25245135 0.76 LMNA (0.44) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL15179403 0.76 ALDH1A1 (0.56) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL15168454 0.76 ALDH1A1 (0.60) CYP1A2CYP2C19LMNAALDH1A1THRB
SCHEMBL15179320 0.75 ALDH1A1 (0.51) CYP1A2CYP2C19LMNAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP claimed
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-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-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 CYP1A2 654/4885CYP2C19 1661/4885LMNA 1443/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 CYP1A2 654/4885CYP2C19 1661/4885LMNA 1443/4885

“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.