SCHEMBL3087322

SCHEMBL3087322

CN(C(=O)[C@@H]1CCCN1C(=O)O)C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.33
CCR1 P32246 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F2R P25116 1/20 0.33
ACE P12821 4/20 0.33
REN P00797 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2 P00734 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
PEPD P12955 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL13144565 0.82 HSD17B10 (0.49) LMNAHSD17B10
SCHEMBL13902985 0.82 CYP3A4 (0.35) CCR4ITGB3ITGA2BF2RKCNH2
SCHEMBL3087345 0.82 CYP3A4 (0.35) CCR4ITGB3ITGA2BF2RKCNH2
SCHEMBL13144573 0.82 CYP3A4 (0.35) CCR4ITGB3ITGA2BF2RKCNH2
Hydrochloric Acid SCHEMBL3092057 0.81 CYP3A4 (0.34) CCR4ITGB3ITGA2BF2R
SCHEMBL14676528 0.77 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL14676527 0.77 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL16529795 0.77 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL13902905 0.74 PREP (0.32) CCR4ITGB3ITGA2BF2R
SCHEMBL14004205 0.74 OPRD1 (0.35) CCR4ITGB3ITGA2BF2RKCNH2

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-7790884-B2 Acylaminopiperidine compound ASTELLAS PHARMA INC. (JP) 2010-09-07 US disclosed
US-20090131666-A1 ACYLAMINOPIPERIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2009-05-21 US disclosed
EP-2000469-A9 ACYLAMINOPIPERIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-03-25 EP disclosed
EP-2000469-A2 ACYLAMINOPIPERIDINE COMPOUND Astellas Pharma Inc. (JP) 2008-12-10 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-20090131666-A1 ACYLAMINOPIPERIDINE COMPOUND CCR4, CCR1, CCR3 CCR4 1/4885CCR1 2/4885ITGB3 4099/4885

“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.