SCHEMBL3886799

SCHEMBL3886799

O=C1CN(C[C@@H]2CCCC[C@H]2NC(=O)OCc2ccccc2)C[C@H](Cc2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 2/20 0.45
CASP3 P42574 3/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CCR3 P51677 4/20 0.41
EPHX1 P07099 1/20 0.41
CPB1 P15086 2/20 0.40

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
SCHEMBL3886795 1.00 CTSB (0.45) CTSBCTSKCTSSCTSLCASP3
SCHEMBL7119177 0.95 CCR3 (0.48) CTSBCTSKCTSSCTSLCASP3
SCHEMBL3879488 0.95 CCR3 (0.48) CTSBCTSKCTSSCTSLCASP3
SCHEMBL3881565 0.84 CCR3 (0.57) CCR3
SCHEMBL3881197 0.84 CCR3 (0.57) CCR3
SCHEMBL3881200 0.84 CCR3 (0.57) CCR3
SCHEMBL13867616 0.82 CCR3 (0.38) CCR3
SCHEMBL3879491 0.81 CASP3 (0.44) CTSBCTSKCTSSCTSLCASP3
SCHEMBL13876969 0.81 CASP3 (0.44) CTSBCTSKCTSSCTSLCASP3
SCHEMBL14392696 0.79 EPHX1 (0.52) CTSBCTSKCTSSCTSLCASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US disclosed
WO-2003024401-A2 PIPERIZINONES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 WO 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 (2 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CTSB 2644/4885CTSK 2578/4885CTSS 2447/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CTSB 2481/4885CTSK 2434/4885CTSS 2327/4885

“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.