SCHEMBL16624107

SCHEMBL16624107

CC(C)N1CCc2sc(CO)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.36
ASIC3 Q9UHC3 1/20 0.35
DRD2 P14416 5/20 0.34
DRD1 P21728 4/20 0.34
HTR1A P08908 3/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
POLB P06746 2/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL18033528 0.86 KCNH2 (0.42) ASIC3DRD2DRD1HTR1ADRD3
SCHEMBL19770134 0.80 KMT2A (0.36) ASIC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL2927057 0.80 CYP2C19 (0.43) GRIN2BPRMT5WDR77
SCHEMBL16624079 0.78 PNMT (0.42) ASIC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL10858296 0.76 KMT2A (0.42) ASIC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL21411325 0.76 KCNQ3 (0.39) ASIC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3441449 0.73 HDAC6 (0.42) GRIN2BPRMT5WDR77POLBHDAC6
SCHEMBL16624080 0.72 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2927658 0.69 PRMT5 (0.49) GRIN2BMEN1KMT2APRMT5WDR77
SCHEMBL21462204 0.68 HRH3 (0.48) ASIC3KDM4EALDH1A1MAPTHRH3

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 GRIN2B 1695/4885ASIC3 157/4885DRD2 935/4885

“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.