SCHEMBL6370245

SCHEMBL6370245

CCOC(=O)C1Cc2ccccc2CN1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.58
BCL2 P10415 1/20 0.47
BAD Q92934 1/20 0.47
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP3 P08254 3/20 0.43
MMP8 P22894 2/20 0.43
MMP9 P14780 4/20 0.43
MMP1 P03956 2/20 0.43
ADAM17 P78536 2/20 0.43
ADAM9 Q13443 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL12125014 0.87 NR1D1 (0.45) NR1D1MMP3MMP9MMP1ADAM17
SCHEMBL6369530 0.87 NR1D1 (0.45) NR1D1MMP3MMP9MMP1ADAM17
SCHEMBL14001463 0.86 NR1D1 (0.44) NR1D1MMP3MMP8MMP9MMP1
SCHEMBL16879293 0.84 NR1D1 (0.59) NR1D1BCL2BADGAAMMP3
SCHEMBL29409301 0.83 NR1D1 (0.68) NR1D1BCL2BADGAAMMP8
SCHEMBL28556786 0.83 NR1D1 (0.68) NR1D1BCL2BADGAAMMP8
SCHEMBL12125023 0.82 ACE (0.53) KDM4EALDH1A1POLBACE
SCHEMBL10445427 0.82 GLA (0.45) NR1D1MMP3MMP8MMP9MMP1
SCHEMBL4239788 0.82 ACE (0.53) KDM4EALDH1A1POLBACE
SCHEMBL10067954 0.82 ACE (0.53) KDM4EALDH1A1POLBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-2268280-B1 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US 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 (1 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 NR1D1 48/4885BCL2 4751/4885BAD 2276/4885

“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.