SCHEMBL16624023

SCHEMBL16624023

CC(C)N1CCc2c(Cl)ccc(Cl)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 5/20 0.38
ADRA2B P18089 5/20 0.38
ADRA2C P18825 5/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL21361602 0.79 ADRA2A (0.57) ALDH1A1GAAADRA2AADRA2BADRA2C
SCHEMBL23102140 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL18034996 0.74 ADRA2A (0.58) ALDH1A1GAAADRA2AADRA2BADRA2C
SCHEMBL12878740 0.73 ALDH1A1 (0.38) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL12367365 0.68 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23551264 0.67 ALDH1A1 (0.34) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL18252821 0.66 TMEM97 (0.39) ALDH1A1GAAMAPT
SCHEMBL16624295 0.66 MEN1 (0.45) GAATHRBKDM4EMEN1MAPT
SCHEMBL22436028 0.66 NOTUM (0.38) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL21361477 0.66 HTR2A (0.44)

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 ALDH1A1 2383/4885GAA 4318/4885THRB 196/4885

“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.