SCHEMBL4756277

SCHEMBL4756277

O=[C]CC1CC(=O)NC(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGB2 P05107 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGAL P20701 1/20 0.35
CREBBP Q92793 2/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRBN Q96SW2 1/20 0.32
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL9518834 0.85
SCHEMBL8252569 0.75 CREBBP (0.58) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL4756282 0.72 ITGB1 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10521970 0.71 CREBBP (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL28570252 0.71 CREBBP (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL15610126 0.71 ITGB1 (0.74) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL11816042 0.70 CRBN (0.42) ALDH1A1CRBNMAP3K14
Hydrochloric Acid SCHEMBL10659486 0.69 CREBBP (0.37) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL124233 0.68 CRBN (0.36) CRBNMAP3K14
SCHEMBL1061579 0.68 CRBN (0.36) CRBNMAP3K14

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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR ITGB3 2273/4885ITGB2 2550/4885ITGB1 2659/4885

“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.