SCHEMBL2996923

SCHEMBL2996923

CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.49
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 4/20 0.40

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
SCHEMBL16456497 1.00 CCR2 (0.49) CCR2HTR2AHTR2CCYP2D6KCNH2
SCHEMBL3423560 0.88 CCR2 (0.48) CCR2CYP2D6KCNH2
SCHEMBL16456636 0.88 CCR2 (0.48) CCR2CYP2D6KCNH2
SCHEMBL2992305 0.87 CCR2 (0.49) CCR2CYP2D6KCNH2
SCHEMBL16456529 0.87 CCR2 (0.49) CCR2CYP2D6KCNH2
SCHEMBL2991410 0.86 CCR2 (0.54) CCR2CYP2D6KCNH2
SCHEMBL3424968 0.86 CCR2 (0.54) CCR2CYP2D6KCNH2
SCHEMBL5029702 0.72 CCR2 (0.59) CCR2KCNH2
SCHEMBL16456499 0.71 HTR2A (0.40) CCR2HTR2AHTR2C
SCHEMBL2996925 0.71 HTR2A (0.40) CCR2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CCR2 5/4885HTR2A 4055/4885HTR2C 4423/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885HTR2A 4180/4885HTR2C 4543/4885

“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.