SCHEMBL1095686

SCHEMBL1095686

CCOC(=O)c1cccc(N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.34
CASP3 P42574 1/20 0.34
TTR P02766 1/20 0.33
CASR P41180 5/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
PDE10A Q9Y233 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1095449 0.92 TTR (0.40) CCR5TTRCASRPDE10A
SCHEMBL1096728 0.86 CASR (0.37) CASR
SCHEMBL1095805 0.85 P2RY12 (0.47)
SCHEMBL1095869 0.82 CASR (0.37) CCR5CASR
SCHEMBL1097108 0.81 PTGER1 (0.38) CCR5CASR
SCHEMBL1097153 0.81 CASR (0.34) CCR5CASR
SCHEMBL1094911 0.81 HRH3 (0.38) CCR5CASRHRH3
SCHEMBL1095286 0.81 NPY2R (0.42) MAPTSMN1; SMN2
SCHEMBL1095501 0.80 CASR (0.43) CASR
SCHEMBL1096488 0.80 CCR5 (0.39) CCR5CASR

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CCR5 542/4885CASP3 2969/4885TTR 4339/4885

“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.