SCHEMBL1095349

SCHEMBL1095349

COC(=O)c1ccc(NC(=O)CCC(=O)N2CCC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3cccc(F)c3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.35
GPR119 Q8TDV5 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PABPC1 P11940 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
TP53 P04637 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
SCHEMBL1096227 0.94 CCR5 (0.36) CCR5GPR119KMT2APABPC1
SCHEMBL1095663 0.88 CCR5 (0.40) CCR5
SCHEMBL1096420 0.85 CCR5 (0.36) CCR5GPR119ESR1ESR2
SCHEMBL1097652 0.85 CCR5 (0.38) CCR5GPR119
SCHEMBL1105750 0.84 CCR5 (0.40) CCR5GPR119ESR1ESR2
SCHEMBL1097659 0.84 UBE2M (0.38) CCR5GPR119ESR1ESR2UBE2M
SCHEMBL1096776 0.82 CCR5 (0.39) CCR5GPR119ESR1ESR2
SCHEMBL1095814 0.82 CCR5 (0.42) CCR5
SCHEMBL1096544 0.81 NPC1 (0.37) CCR5KMT2AMAPTNPC1RAB9A
SCHEMBL1096057 0.80 CCR5 (0.38) CCR5GPR119

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 542/4885GPR119 78/4885KMT2A 2134/4885

“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.