SCHEMBL16624111

SCHEMBL16624111

COc1ccc2c(c1OC)C(O)CNC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
ACHE P22303 2/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Hydrochloric Acid SCHEMBL17965629 0.98 HTR2C (0.38) HTR2CACHENQO2MTNR1AMTNR1B
SCHEMBL18033567 0.84 DRD2 (0.35) HTR2CHTR2BDRD2
SCHEMBL17965649 0.79 HTR2A (0.40) HTR2CHTR2BDRD2
SCHEMBL4243156 0.78 ACHE (0.46) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL29507238 0.71 HTR2C (0.36) HTR2CHTR2B
SCHEMBL21326101 0.71 SLC6A4 (0.36) HTR2CHTR2BKDM4ELMNASLC6A4
SCHEMBL21326102 0.71 HTR2A (0.31) HTR2CHTR2B
SCHEMBL22858964 0.71 HTR2C (0.36) HTR2CHTR2B
SCHEMBL29587253 0.71 HTR2A (0.31) HTR2CHTR2B
SCHEMBL18034949 0.71 ALDH1A1 (0.41) ACHENQO2MTNR1AMTNR1BDRD2

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 HTR2C 1102/4885ACHE 2037/4885NQO2 1555/4885

“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.