SCHEMBL7054705

SCHEMBL7054705

CCOC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
METAP1 P53582 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NOS2 P35228 1/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
CASR P41180 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7468246 1.00 OPRK1 (0.49) OPRK1NPC1RAB9AMETAP1MAPT
SCHEMBL383015 0.94 OPRK1 (0.51) OPRK1NPC1RAB9AMETAP1MAPT
SCHEMBL382149 0.94 OPRK1 (0.51) OPRK1NPC1RAB9AMETAP1MAPT
SCHEMBL7469397 0.90 NOS2 (0.56) OPRK1NPC1RAB9AMETAP1MAPT
SCHEMBL7466048 0.88 OPRK1 (0.51) OPRK1NPC1RAB9AMAPTKDM4E
SCHEMBL382510 0.87 NOS2 (0.51) OPRK1METAP1MAPTKDM4EHSD17B10
SCHEMBL7470666 0.84 OPRK1 (0.49) OPRK1RAB9AMAPTKDM4EHSD17B10
SCHEMBL7050644 0.84 OPRK1 (0.49) OPRK1RAB9AMAPTKDM4EHSD17B10
SCHEMBL7053339 0.83 CASR (0.54) METAP1KDM4EGAACASRDRD2
SCHEMBL7463214 0.83 CASR (0.54) METAP1KDM4EGAACASRDRD2

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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 OPRK1 639/4885NPC1 2291/4885RAB9A 1234/4885

“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.