SCHEMBL1095286

SCHEMBL1095286

CCOC(=O)c1ccc(NC(=O)N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.42
MAPK1 P28482 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CCR2 P41597 1/20 0.39
MAPT P10636 5/20 0.39
STAT1 P42224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4096440 0.94 MAPK1 (0.41) NPY2RMAPK1MEN1KMT2ARAB9A
SCHEMBL1096487 0.92 CASR (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16274939 0.85 CCR5 (0.44) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1095814 0.85 CCR5 (0.42)
SCHEMBL1096728 0.83 CASR (0.37)
SCHEMBL1096488 0.83 CCR5 (0.39)
SCHEMBL1097420 0.83 UBE2M (0.41) KMT2A
SCHEMBL1096703 0.83 CCR5 (0.39) NPY2RMEN1KMT2A
SCHEMBL1095992 0.83 CASR (0.36) SMN1; SMN2
SCHEMBL1096960 0.83 CASR (0.41)

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 NPY2R 2265/4885MAPK1 1603/4885MEN1 4104/4885

“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.