SCHEMBL3734020

SCHEMBL3734020

CCC[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CCC(Nc2ncnc3ccc(Cl)cc23)C1=O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.75
CCR5 P51681 15/20 0.75
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM1 P11229 1/20 0.60
KCNH2 Q12809 1/20 0.60
IRAK4 Q9NWZ3 2/20 0.44
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL3734016 1.00 CCR2 (0.75) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3734019 1.00 CCR2 (0.75) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3736277 0.88 CCR2 (0.70) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3736288 0.88 CCR2 (0.70) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3739111 0.86 CCR2 (0.86) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3739116 0.86 CCR2 (0.86) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3743744 0.86 CCR2 (0.86) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3737065 0.86 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3737069 0.86 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3737067 0.86 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 8 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
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
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.