SCHEMBL16624039

SCHEMBL16624039

CC(C)N1Cc2ccc(O)cc2C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DYRK1A Q13627 1/20 0.34
KIF11 P52732 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
ACACB O00763 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL17993844 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL16624024 0.81 SLC6A4 (0.48) HTR2AOPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL30388590 0.79 SLC6A2 (0.49) DRD1HTR2AOPRM1OPRD1OPRK1
SCHEMBL18034966 0.79 SLC6A2 (0.49) DRD1HTR2AOPRM1OPRD1OPRK1
SCHEMBL16624090 0.77 ACACB (0.43) ALDH1A1ACACB
SCHEMBL16624031 0.77 ACACB (0.43) SLC6A2SLC6A4SLC6A3ACACB
SCHEMBL16624050 0.76 ACACB (0.41) ACACB
SCHEMBL18033538 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KIF11
SCHEMBL16624097 0.74 ACACB (0.56) ACACB
SCHEMBL18253962 0.74 CHRNB2 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3KIF11

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 DRD1 543/4885HTR2A 1884/4885OPRM1 324/4885

“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.