SCHEMBL210366

SCHEMBL210366

O=C(O)N1CCN(Cc2cscn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.42
KCNH2 Q12809 5/20 0.42
OPRM1 P35372 5/20 0.42
DRD2 P14416 1/20 0.42
SRPK1 Q96SB4 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SCN9A Q15858 1/20 0.39
GRM5 P41594 1/20 0.39
KDM1A O60341 1/20 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
SCHEMBL2733434 0.79 CHRM2 (0.44) OPRD1KCNH2OPRM1SRPK1ALDH1A1
SCHEMBL31546371 0.78 LTA4H (0.50) OPRD1KCNH2OPRM1DRD2SCN9A
SCHEMBL14338849 0.77 KCNH2 (0.49) OPRD1KCNH2OPRM1DRD2KDM4E
SCHEMBL27645924 0.76 LTA4H (0.49) OPRD1KCNH2OPRM1DRD2ALDH1A1
SCHEMBL27910666 0.76 SCN9A (0.47) DRD2FNTAFNTBSCN9AKDM1A
SCHEMBL27030452 0.75 SMN1; SMN2 (0.45) KCNH2DRD2ALDH1A1KDM4EFNTA
SCHEMBL20338952 0.74 KMT2A (0.53) DRD2ALDH1A1
SCHEMBL23013124 0.74 FNTA (0.45) KCNH2DRD2KDM4EFNTAFNTB
SCHEMBL28289061 0.74 OPRD1 (0.40) OPRD1KCNH2OPRM1DRD2SRPK1
SCHEMBL743040 0.73 SMN1; SMN2 (0.53) OPRD1KCNH2OPRM1DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA OPRD1 2947/4885KCNH2 499/4885OPRM1 3123/4885

“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.