SCHEMBL323993

SCHEMBL323993

Clc1ccc(-n2nnnc2CN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
ALDH1A1 P00352 8/20 0.75
LMNA P02545 3/20 0.75
THRB P10828 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRMT1 Q99873 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2A13 Q16696 1/20 0.44

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
SCHEMBL324795 0.87 CYP1A2 (0.77) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL15169160 0.86 CYP1A2 (0.75) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL324058 0.86 CYP1A2 (0.75) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL324229 0.85 ALDH1A1 (0.77) CYP1A2CYP2C19ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL29607161 0.84 ALDH1A1 (0.97) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL324283 0.83 CYP1A2 (0.71) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL324385 0.83 ALDH1A1 (0.72) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL324009 0.83 CYP1A2 (0.70) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL15169075 0.82 CYP1A2 (0.69) CYP1A2CYP2C19ALDH1A1LMNATHRB
SCHEMBL323661 0.81 ALDH1A1 (1.00) CYP1A2CYP2C19ALDH1A1LMNATHRB

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 24 patents — showing the first 20. 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 claimed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US claimed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US claimed
EP-2590953-B1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CONVERGENCE PHARMACEUTICALS (GB) 2014-10-29 EP claimed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US claimed
EP-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP claimed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO 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-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
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
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 1661/4885ALDH1A1 2584/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 CYP1A2 654/4885CYP2C19 1661/4885ALDH1A1 2584/4885

“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.