SCHEMBL3087345

SCHEMBL3087345

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CCR4 P51679 7/20 0.33
GLI1 P08151 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 1/20 0.32
CCR5 P51681 1/20 0.32
PLAT P00750 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL13902985 1.00 CYP3A4 (0.35) CYP3A4CYP2D6CCR4GLI1ITGB3
SCHEMBL13144573 1.00 CYP3A4 (0.35) CYP3A4CYP2D6CCR4GLI1ITGB3
Hydrochloric Acid SCHEMBL3092057 0.98 CYP3A4 (0.34) CYP3A4CYP2D6CCR4GLI1ITGB3
SCHEMBL20096239 0.85 CCR5 (0.39) CYP3A4CYP2D6CCR4CCR5
SCHEMBL13817502 0.84 ALDH1A1 (0.39) CYP3A4CYP2D6CCR4CCR5
SCHEMBL13903067 0.83 SLC6A4 (0.35) CYP3A4CYP2D6ITGB3ITGA2BF2R
SCHEMBL13903057 0.82 SLC6A4 (0.36) CYP3A4CYP2D6ITGB3ITGA2BF2R
SCHEMBL3087322 0.82 CCR4 (0.33) CCR4ITGB3ITGA2BF2RKCNH2
SCHEMBL13144577 0.81 SLC6A4 (0.34) CYP3A4CYP2D6CCR4ITGB3ITGA2B
SCHEMBL13144576 0.81 SLC6A4 (0.34) CYP3A4CYP2D6CCR4ITGB3ITGA2B

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 CYP3A4 1928/4885CYP2D6 2690/4885CCR4 1/4885

“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.