SCHEMBL324081

SCHEMBL324081

C[C@@H]1COCCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GCKR Q14397 3/20 0.38
GCK P35557 1/20 0.38
NOTUM Q6P988 1/20 0.35
LTA4H P09960 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRMT1 Q99873 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL15179487 1.00 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL15168429 0.99 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL15168048 0.99 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL325111 0.88 CNR2 (0.49) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL15168744 0.87 CNR2 (0.49) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL15169087 0.85 CNR2 (0.45) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL10239277 0.84 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL17452474 0.83 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL16199558 0.82 PRMT1 (0.45) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL10239578 0.82 PRMT1 (0.45) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1

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 17 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-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 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.