SCHEMBL3453076

SCHEMBL3453076

O=Cc1ccccc1-c1cccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOA P21397 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
SCHEMBL3453685 0.97 ALDH1A1 (0.43) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL1044992 0.83 BCL2L1 (0.50) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL19249411 0.82 BCL2L1 (0.48) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL4974372 0.81 BCL2L1 (0.60) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL1616679 0.80 BCL2L1 (0.45) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL30777455 0.80 BCL2L1 (0.45) BCL2L1BADALDH1A1MEN1KMT2A
Bromide SCHEMBL7104246 0.79 BCL2L1 (0.58) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL6293516 0.79 PARP1 (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27609605 0.79 PNMT (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
Dimethylamine SCHEMBL6542151 0.77 BCL2L1 (0.44) BCL2L1BADALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
EP-1438291-B1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-09-07 EP disclosed
US-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-01-20 US disclosed
EP-1438291-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-07-21 EP disclosed
WO-2003033466-A1 ARALKYL-TETRAHYDRO-PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-04-24 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-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same CYCS, NADK, CYP2F1 BCL2L1 2350/4885BAD 4694/4885ALDH1A1 2370/4885
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them CYP3A43, CYCS, CCNY BCL2L1 3124/4885BAD 4690/4885ALDH1A1 2661/4885

“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.