SCHEMBL16879293

SCHEMBL16879293

CCOC(=O)C1Cc2ccccc2CN1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.59
MMP9 P14780 4/20 0.46
MMP3 P08254 3/20 0.46
MMP1 P03956 2/20 0.46
ADAM17 P78536 2/20 0.46
ADAM9 Q13443 2/20 0.46
BCL2 P10415 1/20 0.45
BAD Q92934 1/20 0.45
GAA P10253 1/20 0.45
ACE P12821 2/20 0.45
MMP8 P22894 2/20 0.44
POLB P06746 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
SCHEMBL5351382 0.85 NPSR1 (0.48) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL6370245 0.84 NR1D1 (0.58) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL28556786 0.84 NR1D1 (0.68) NR1D1BCL2BADGAAACE
SCHEMBL29409301 0.84 NR1D1 (0.68) NR1D1BCL2BADGAAACE
SCHEMBL12992250 0.83 CHEK1 (0.46) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL13545530 0.83 CHEK1 (0.46) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL10509244 0.83 NR1D1 (0.67) NR1D1BCL2BADGAAACE
SCHEMBL16624032 0.82 NR1D1 (0.56) NR1D1MMP3BCL2BADGAA
SCHEMBL19931777 0.80 NR1D1 (0.63) NR1D1BCL2BADACEPOLB
SCHEMBL23343522 0.79 NR1D1 (0.50) NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015103527-A1 MODULATORS OF REV-ERB THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-09 WO disclosed
WO-2015103527-A1 MODULATORS OF REV-ERB THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-09 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 (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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H NR1D1 415/4885MMP9 3710/4885MMP3 3528/4885

“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.