SCHEMBL16624012

SCHEMBL16624012

CC(C)N1Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HSD17B3 P37058 2/20 0.36
LMNA P02545 2/20 0.36
SLC22A1 O15245 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 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
SCHEMBL21151195 0.88 HSD17B3 (0.51) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL14514477 0.82 CYP1A2 (0.45) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL19733706 0.81 P2RX4 (0.41) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL10202239 0.79 HPGD (0.34) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL25632984 0.79 THRB (0.37) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL26661186 0.79 SMN1; SMN2 (0.39) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL12794237 0.79 MEN1 (0.38) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL25000028 0.79 ABHD6 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AKCNH2
SCHEMBL1102007 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL19546145 0.75 THRB (0.40) ALDH1A1SMN1; SMN2TSHRMAPTMEN1

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 2383/4885HPGD 2402/4885SMN1; 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.