SCHEMBL3334772

SCHEMBL3334772

[CH2]CN(Cc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
BCL2A1 Q16548 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
PYCR1 P32322 1/20 0.39
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL3331658 0.90 CYP2C19 (0.52) ESR1ESR2CNR2CNR1LMNA
SCHEMBL628354 0.78 MAOB (0.47) ESR1ESR2CNR2CNR1ALDH1A1
SCHEMBL3065138 0.74 TSHR (0.63) CNR2ALDH1A1LMNACYP2C19SLC6A3
SCHEMBL3339451 0.72 PYCR1 (0.58) ESR1ESR2ALDH1A1LMNAPYCR1
SCHEMBL9709954 0.72 CHRM2 (0.50) ALDH1A1LMNACYP2C19SLC6A2SLC6A4
SCHEMBL3737073 0.71 KCNJ1 (0.51) ALDH1A1PYCR1LOXL2
SCHEMBL11206092 0.71 CNR2 (0.51) ESR1ESR2CNR2CNR1BCL2A1
SCHEMBL7047352 0.70 ESR1 (0.57) ESR1ESR2BCL2A1ALDH1A1PYCR1
SCHEMBL22340467 0.70 CNR2 (0.51) CNR2CNR1ALDH1A1LMNA
SCHEMBL933733 0.70 ESR1 (0.57) ESR1ESR2BCL2A1ALDH1A1PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US claimed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP claimed
US-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
CN-100450483-C stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2009-01-14 CN disclosed
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN disclosed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US disclosed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP 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 (4 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-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B ESR1 3949/4885ESR2 4716/4885CNR2 204/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B ESR1 3949/4885ESR2 4716/4885CNR2 204/4885
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B ESR1 3949/4885ESR2 4716/4885CNR2 204/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D ESR1 4554/4885ESR2 4662/4885CNR2 209/4885

“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.