SCHEMBL5032022

SCHEMBL5032022

CC(C)N(C)C1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3ncnc4cc(Cl)ccc34)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.48
CCR5 P51681 8/20 0.48
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR1 P21554 8/20 0.39
CNR2 P34972 7/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL5030716 0.89 NSD2 (0.46) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL4426067 0.89 CNR1 (0.40) CCR2CCR5CNR1CNR2RXFP1
SCHEMBL5027376 0.88 CCR2 (0.43) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5027325 0.88 CCR2 (0.47) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5030504 0.87 CCR2 (0.48) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5029719 0.86 CCR2 (0.44) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5029731 0.86 CCR2 (0.59) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5032071 0.86 CCR2 (0.44) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5030874 0.85 CCR2 (0.43) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5027344 0.85 CCR2 (0.43) 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
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US claimed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US claimed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US claimed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US claimed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CHRM2 173/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885CCR5 8/4885CHRM2 185/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CHRM2 173/4885

“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.