SCHEMBL15939596

SCHEMBL15939596

O=c1c2scc(-c3ccccc3)c2ncn1C1CCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 15/20 0.58
KCNH2 Q12809 1/20 0.50
PDE4B Q07343 1/20 0.48
PDE7A Q13946 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDPK1 O15530 1/20 0.46
DHPS P49366 1/20 0.46
GRM5 P41594 2/20 0.45

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
SCHEMBL15940113 1.00 GRM1 (0.58) GRM1KCNH2PDE4BPDE7AKDM4E
SCHEMBL15940065 1.00 GRM1 (0.58) GRM1KCNH2PDE4BPDE7AKDM4E
SCHEMBL15939983 0.99 GRM1 (0.60) GRM1KCNH2PDE4BPDE7AKDM4E
SCHEMBL15940268 0.96 GRM1 (0.60) GRM1KCNH2PDE4BPDE7AKDM4E
SCHEMBL15940313 0.88 GRM1 (0.56) GRM1KCNH2PDE4BPDE7APDPK1
SCHEMBL15939932 0.88 GRM1 (0.56) GRM1KCNH2PDE4BPDE7APDPK1
SCHEMBL15940189 0.88 GRM1 (0.56) GRM1KCNH2PDE4BPDE7APDPK1
SCHEMBL15939645 0.87 GRM1 (0.55) GRM1KCNH2PDE4BPDE7APDPK1
SCHEMBL15939333 0.87 GRM1 (0.52) GRM1KCNH2PDE4BPDE7APDPK1
SCHEMBL15939845 0.85 GRM1 (0.58) GRM1KCNH2PDE4BPDE7APDPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260448-B2 Thienopyrimidinone derivatives as mGluR1 antagonists KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-16 US claimed
US-20140228565-A1 THIENOPYRIMIDINONE DERIVATIVES AS mGluR1 ANTAGONISTS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US claimed
US-9260448-B2 Thienopyrimidinone derivatives as mGluR1 antagonists KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-16 US disclosed
US-20140228565-A1 THIENOPYRIMIDINONE DERIVATIVES AS mGluR1 ANTAGONISTS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US 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-20140228565-A1 THIENOPYRIMIDINONE DERIVATIVES AS mGluR1 ANTAGONISTS GRM1, GRIN1, GRM2 GRM1 1/4885KCNH2 1928/4885PDE4B 2204/4885

“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.