SCHEMBL1096544

SCHEMBL1096544

C[C@H](c1cccc2ccccc12)N(CC1CN(C(=O)Nc2ccc(C(=O)O)cc2)CCC1c1cccc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
CASR P41180 4/20 0.37
CCR5 P51681 3/20 0.37
MAPT P10636 2/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 3/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1096793 0.89 CCR5 (0.37) CASRCCR5
SCHEMBL1096487 0.88 CASR (0.40) NPC1CASRCCR5MAPTSTAT1
SCHEMBL1096227 0.86 CCR5 (0.36) CASRCCR5CYP2D6KMT2A
SCHEMBL1096451 0.85 CASR (0.36) CASRCCR5CYP2D6ALDH1A1HSD17B10
SCHEMBL16274939 0.83 CCR5 (0.44) NPC1CCR5RAB9ASMN1; SMN2NAMPT
SCHEMBL1105784 0.82 CASR (0.45) NPC1CASRCYP2D6
SCHEMBL1096965 0.82 CASR (0.39) CASRCCR5CYP2D6
Hydrochloric Acid SCHEMBL1096704 0.82 CASR (0.46) NPC1CASRCYP2D6
SCHEMBL1095287 0.81 ESR1 (0.37) CASRCCR5ALDH1A1HSD17B10
SCHEMBL1095286 0.81 NPY2R (0.42) NPC1MAPTSTAT1RAB9ASMN1; SMN2

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

“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.