SCHEMBL16624010

SCHEMBL16624010

CC(C)N1Cc2cc3c(cc2C(O)C1)OCO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2D6 P10635 2/20 0.44
GAA P10253 1/20 0.43
KCNH2 Q12809 7/20 0.42
TMEM97 Q5BJF2 6/20 0.41
SIGMAR1 Q99720 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39

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
SCHEMBL18034950 0.81 ALDH1A1 (0.53) HTR1ACYP3A4KDM4EALDH1A1GLA
SCHEMBL18253969 0.73 KIF11 (0.35)
SCHEMBL17993844 0.73 SLC6A2 (0.44) CYP2D6KCNH2
SCHEMBL18033538 0.73 SLC6A2 (0.47) CYP2D6KCNH2
SCHEMBL16624039 0.73 DRD1 (0.39) KDM4EALDH1A1
SCHEMBL18253962 0.72 CHRNB2 (0.37) ALDH1A1GAAHIF1A
SCHEMBL16854930 0.70 TMEM97 (0.36) ALDH1A1GAAKCNH2TMEM97SIGMAR1
SCHEMBL16624030 0.70 SLC6A4 (0.48)
SCHEMBL16624024 0.70 SLC6A4 (0.48) SIGMAR1
SCHEMBL18252814 0.69 KCNH2 (0.43) HTR1AKCNH2TMEM97SIGMAR1

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 HTR1A 1076/4885CYP3A4 1365/4885KDM4E 3594/4885

“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.