SCHEMBL3741471

SCHEMBL3741471

CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 1.00
CCR5 P51681 17/20 0.84
CHRM2 P08172 1/20 0.81
CHRM4 P08173 1/20 0.81
CHRM1 P11229 1/20 0.81
KCNH2 Q12809 1/20 0.81
IRAK4 Q9NWZ3 1/20 0.50

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
SCHEMBL3741476 1.00 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3741472 1.00 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3741313 0.91 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3741317 0.91 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3738596 0.91 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL25029693 0.91 CCR2 (0.84) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL15310498 0.91 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3992462 0.91 CCR2 (0.84) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL25028444 0.91 CCR2 (0.87) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3738604 0.91 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1

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
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP claimed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (3 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CHRM2 155/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CHRM2 155/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CHRM2 155/4885

“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.