SCHEMBL1096487

SCHEMBL1096487

C[C@H](c1cccc2ccccc12)N(CC1CCN(C(=O)Nc2ccc(C(=O)O)cc2)CC1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.40
CCR5 P51681 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
STAT1 P42224 1/20 0.38
NAMPT P43490 2/20 0.38
CYP2D6 P10635 2/20 0.38
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL1095286 0.92 NPY2R (0.42) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL1096960 0.90 CASR (0.41) CASRCCR5CYP2D6
SCHEMBL1095992 0.89 CASR (0.36) CASRCCR5SMN1; SMN2CYP2D6
SCHEMBL16274939 0.89 CCR5 (0.44) CCR5NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL1096544 0.88 NPC1 (0.37) CASRCCR5NPC1RAB9ASMN1; SMN2
SCHEMBL1096628 0.87 CASR (0.39) CASRCCR5CYP2D6
SCHEMBL1095781 0.87 CCR5 (0.39) CASRCCR5CYP2D6
SCHEMBL4096440 0.85 MAPK1 (0.41) CCR5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1096227 0.85 CCR5 (0.36) CASRCCR5CYP2D6
SCHEMBL1095814 0.85 CCR5 (0.42) CASRCCR5CYP2D6

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 CASR 1/4885CCR5 542/4885NPC1 2162/4885

“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.