SCHEMBL16624028

SCHEMBL16624028

CC(C)N1CCc2cnn(CC(F)(F)F)c2C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
HDAC9 Q9UKV0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
OGA O60502 1/20 0.30

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
SCHEMBL13256449 0.87 PDE10A (0.34) PDE10AHDAC9CYP17A1CYP1A2
SCHEMBL18034963 0.81 PDE10A (0.42) PDE10AHDAC9CYP17A1CYP1A2
SCHEMBL12718669 0.74 HRH3 (0.36) PDE10AHRH3
SCHEMBL13283524 0.73 PDE10A (0.35) PDE10AHDAC9CYP17A1CYP1A2
SCHEMBL12691764 0.72 HDAC9 (0.38) PDE10AHDAC9
SCHEMBL19498087 0.71 PDE10A (0.34) PDE10AHDAC9CYP17A1CYP1A2
SCHEMBL16624092 0.69 HDAC9 (0.38) HDAC9HRH3OGA
SCHEMBL16210618 0.68 PNMT (0.34) PDE10AHDAC9
SCHEMBL19558163 0.67 HRH3 (0.44) HRH3OGA
SCHEMBL12718664 0.65 HRH3 (0.36) HRH3OGA

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 2 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
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 PDE10A 1643/4885HDAC9 2178/4885HRH3 871/4885

“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.