SCHEMBL16624032

SCHEMBL16624032

CCOC(=O)C1Cc2ccccc2CN1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.56
ACE P12821 5/20 0.46
ABCB11 O95342 1/20 0.46
BCL2 P10415 1/20 0.43
BAD Q92934 1/20 0.43
GAA P10253 1/20 0.43
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL16879293 0.82 NR1D1 (0.59) NR1D1ACEBCL2BADGAA
SCHEMBL6370245 0.81 NR1D1 (0.58) NR1D1ACEBCL2BADGAA
SCHEMBL28556786 0.81 NR1D1 (0.68) NR1D1ACEABCB11BCL2BAD
SCHEMBL29409301 0.81 NR1D1 (0.68) NR1D1ACEABCB11BCL2BAD
SCHEMBL14569615 0.80 ACE (0.47) ACE
SCHEMBL7312604 0.80 ACE (0.57) ACE
SCHEMBL13957692 0.80 ACE (0.57) ACE
SCHEMBL10509244 0.80 NR1D1 (0.67) NR1D1ACEABCB11BCL2BAD
SCHEMBL7735074 0.79 ACE (0.46) ACE
SCHEMBL14558076 0.79 ACE (0.46) ACE

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 2 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
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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 415/4885ACE 978/4885ABCB11 2034/4885

“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.