SCHEMBL16624031

SCHEMBL16624031

CCOc1ccc2c(c1)C(O)CN(C(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 2/20 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
SCHEMBL16624050 0.88 ACACB (0.41) ACACBHRH3
SCHEMBL16624097 0.86 ACACB (0.56) ACACB
SCHEMBL16624049 0.85 CYP17A1 (0.41) ACACB
SCHEMBL16624024 0.85 SLC6A4 (0.48) ACACBSLC6A2SLC6A4SLC6A3HRH3
SCHEMBL18034984 0.82 SLC6A4 (0.57) ACACBSLC6A2SLC6A4SLC6A3HRH3
SCHEMBL18033540 0.82 ACACB (0.42) ACACB
SCHEMBL16624090 0.82 ACACB (0.43) ACACB
SCHEMBL17993844 0.77 SLC6A2 (0.44) ACACBSLC6A2SLC6A4SLC6A3
SCHEMBL16624039 0.77 DRD1 (0.39) ACACBSLC6A2SLC6A4SLC6A3
SCHEMBL18033541 0.77 HRH3 (0.50) ACACBSLC6A2SLC6A4SLC6A3HRH3

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 3 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-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 ACACB 3962/4885SLC6A2 1180/4885SLC6A4 617/4885

“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.