SCHEMBL16624024

SCHEMBL16624024

COc1ccc2c(c1)C(O)CN(C(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ACACB O00763 6/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
OPRM1 P35372 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL16624030 0.89 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM2BHRH3
SCHEMBL16624052 0.86 MTNR1B (0.46) MTNR1AMTNR1BKDM2BHRH3SIGMAR1
SCHEMBL16624090 0.85 ACACB (0.43) ACACB
SCHEMBL16624031 0.85 ACACB (0.43) SLC6A4SLC6A2SLC6A3ACACBHRH3
SCHEMBL16624007 0.84 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL16624050 0.84 ACACB (0.41) ACACBHRH3
SCHEMBL16624008 0.83 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3ACACBMTNR1A
SCHEMBL16624097 0.82 ACACB (0.56) ACACB
SCHEMBL16624049 0.81 CYP17A1 (0.41) ACACB
SCHEMBL17993844 0.81 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3ACACB

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 SLC6A4 617/4885SLC6A2 1180/4885SLC6A3 629/4885

“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.