SCHEMBL3877837

SCHEMBL3877837

Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CC(=O)N[C@H](Cc3cccc(C#N)c3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.57
CYP2D6 P10635 6/20 0.57
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
CCR1 P32246 1/20 0.57
CCR2 P41597 1/20 0.57
CCR5 P51681 1/20 0.57

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
SCHEMBL3881845 1.00 CCR3 (0.57) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3884480 0.88 CCR3 (0.64) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3883182 0.88 CCR3 (0.73) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3889206 0.88 CCR3 (0.73) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3885468 0.86 CCR3 (0.57) CCR3CYP2D6
SCHEMBL3881284 0.86 CCR3 (0.57) CCR3CYP2D6
SCHEMBL3880262 0.85 CCR3 (0.61) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3884958 0.85 CCR3 (0.70) CCR3CYP2D6
SCHEMBL3884962 0.85 CCR3 (0.70) CCR3CYP2D6
SCHEMBL3878795 0.80 CCR3 (0.57) CCR3CYP2D6CXCR1CXCR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US claimed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US claimed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US claimed
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

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 CCR3 1/4885CYP2D6 2646/4885CXCR1 17/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CCR3 1/4885CYP2D6 2924/4885CXCR1 18/4885

“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.