SCHEMBL16624055

SCHEMBL16624055

COc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
GRAMD1A Q96CP6 1/20 0.52
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GCK P35557 7/20 0.43
ESR2 Q92731 1/20 0.41
P2RX3 P56373 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL15282745 0.91 ADORA1 (0.44) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL165650 0.84 GRAMD1A (0.53) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL12761195 0.84 GRAMD1A (0.53) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL17993838 0.84 GRAMD1A (0.53) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL172106 0.83 ADORA1 (0.56) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL2699291 0.83 GRAMD1A (0.53) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL12234755 0.83 GRAMD1A (0.53) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL3441645 0.82 GRAMD1A (0.52) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL741444 0.82 ADORA1 (0.55) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL210375 0.81 ADORA1 (0.54) ADORA1GRAMD1AMAPTKDM4EGCK

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 ADORA1 1327/4885GRAMD1A 1172/4885MAPT 479/4885

“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.