SCHEMBL3339451

SCHEMBL3339451

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 3/20 0.58
TAAR1 Q96RJ0 1/20 0.47
AOC3 Q16853 1/20 0.44
RIPK1 Q13546 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
CXCR3 P49682 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 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
SCHEMBL30093198 0.86 PYCR1 (0.67) PYCR1TAAR1AOC3RIPK1KMT2A
SCHEMBL3191532 0.86 PYCR1 (0.67) PYCR1TAAR1AOC3RIPK1KMT2A
SCHEMBL3240150 0.81 PYCR1 (0.56) PYCR1TAAR1AOC3RIPK1KMT2A
SCHEMBL11181366 0.80 PYCR1 (0.57) PYCR1TAAR1KMT2AMEN1LMNA
SCHEMBL171946 0.80 PYCR1 (0.60) PYCR1TAAR1AOC3RIPK1KMT2A
SCHEMBL22304838 0.80 PYCR1 (0.60) PYCR1TAAR1AOC3RIPK1KMT2A
SCHEMBL10814136 0.78 PYCR1 (0.63) PYCR1TAAR1KMT2ACXCR3MEN1
SCHEMBL21268450 0.78 ALDH1A1 (0.63) PYCR1KMT2ANPC1MEN1RAB9A
SCHEMBL13232509 0.78 PYCR1 (0.58) PYCR1TAAR1AOC3KMT2ANPC1
SCHEMBL10663042 0.78 PYCR1 (0.58) PYCR1AOC3KMT2ACXCR3MEN1

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
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
CN-1031531-A 1,4-dihydropyridine its preparation method and be used for the purposes of medicine DELAGRANGE LAB (ES) 1989-03-08 CN 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 PYCR1 1945/4885TAAR1 1844/4885AOC3 1551/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B PYCR1 1945/4885TAAR1 1844/4885AOC3 1551/4885
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B PYCR1 1945/4885TAAR1 1844/4885AOC3 1551/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D PYCR1 1858/4885TAAR1 1697/4885AOC3 1905/4885

“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.