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SCHEMBL5029465

SCHEMBL5029465

CNc1nc(N[C@H]2CCN(C3(CS(=O)(=O)c4ccccc4)CCC(N(C)C(C)C)CC3)C2=O)c2cc(Cl)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 12/20 0.43
▸ CCR5 P51681 8/20 0.43
▸ CNR1 P21554 2/20 0.39
▸ NSD2 O96028 1/20 0.37
▸ KCNH2 Q12809 3/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL5029719 0.92 CCR2 (0.44) CCR2CCR5CNR1KCNH2CHRM2
SCHEMBL5032071 0.92 CCR2 (0.44) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL5634292 0.91 CCR2 (0.42) CCR2CCR5CNR1KCNH2CHRM2
SCHEMBL5027344 0.91 CCR2 (0.43) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL5030874 0.91 CCR2 (0.43) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL5033834 0.91 CCR2 (0.43) CCR2CCR5NSD2KCNH2CHRM2
SCHEMBL5027364 0.90 CCR2 (0.44) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL5027358 0.90 CCR2 (0.42) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL4417585 0.89 CNR1 (0.40) CCR2CCR5CNR1NSD2HTR3A
SCHEMBL5032022 0.84 CCR2 (0.48) CCR2CCR5CNR1KCNH2CHRM2

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-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-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 8/4885CNR1 140/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885CCR5 8/4885CNR1 125/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885CNR1 140/4885

“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.