SCHEMBL7049503

SCHEMBL7049503

N[C@@H](CNC(=O)c1ccc(N2CCCCC2Nc2ncccn2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN3B O60391 4/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2C Q14957 4/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TPH1 P17752 1/20 0.37
ITGAV P06756 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PRMT5 O14744 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL7459020 0.89 ALDH1A1 (0.38) ITGB3ITGA2BALDH1A1POLBITGAV
SCHEMBL7463010 0.86 ITGAV (0.43) ITGB3ITGA2BALDH1A1POLBITGAV
SCHEMBL7468702 0.86 ITGB3 (0.41) GRIN3BGRIN1GRIN2CITGB3ITGA2B
SCHEMBL7048410 0.82 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7462236 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL28747046 0.81 ITGB3 (0.49) GRIN3BGRIN1GRIN2CITGB3ITGA2B
SCHEMBL382962 0.81 ITGB3 (0.49) GRIN3BGRIN1GRIN2CITGB3ITGA2B
SCHEMBL7053331 0.81 HCAR3 (0.40) ALDH1A1KDM4ECDK4CCND1
SCHEMBL7052904 0.80 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7463320 0.80 ITGB3 (0.43) ITGB3ITGA2BITGAV

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
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
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 GRIN3B 258/4885GRIN1 912/4885GRIN2C 1908/4885

“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.