SCHEMBL16624079

SCHEMBL16624079

Cc1cc2c(s1)CCN(C(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ASIC3 Q9UHC3 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
OPRM1 P35372 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL19770134 0.81 KMT2A (0.36) MAPTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL10858296 0.81 KMT2A (0.42) MAPTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL21411325 0.81 KCNQ3 (0.39) PNMTMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL18033528 0.79 KCNH2 (0.42) MAPTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL16624107 0.78 GRIN2B (0.36) MAPTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL1870797 0.77 PNMT (0.46) PNMTPRMT5WDR77
SCHEMBL17921330 0.76 ABCB11 (0.44) PNMTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL16624080 0.73 KDM4E (0.45) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL25797192 0.72 PNMT (0.42) PNMTMAPTKMT2AKDM4EMEN1
SCHEMBL13898928 0.71 DRD1 (0.47) PNMTMAPTSMN1; SMN2KMT2AKDM4E

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 PNMT 4208/4885MAPT 479/4885SMN1; SMN2 4489/4885

“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.