SCHEMBL3608899

SCHEMBL3608899

Cc1nnc(C(C)(F)F)n1C1CCN([C@H](C)C[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.37
KCNH2 Q12809 5/20 0.36
CCL5 P13501 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL3609566 1.00 CCR5 (0.37) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL5130540 1.00 CCR5 (0.37) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3604754 0.87 CCR5 (0.47) CCR5KCNH2
SCHEMBL3306898 0.80 CCR5 (0.38) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3304112 0.80 CCR5 (0.38) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3604590 0.80 CCR5 (0.51) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3613542 0.79 DPP4 (0.45) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL13393828 0.75 CCR5 (0.46) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3591589 0.75 CCR5 (0.43) CCR5KCNH2CCL5CYP3A4CYP2D6
SCHEMBL3595607 0.69 CCR5 (0.56) CCR5KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US claimed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US claimed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 US claimed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US disclosed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US disclosed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US disclosed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed
CN-101558060-A Piperidine derivative used for treating chemokine receptor 5 mediated diseases ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
EP-2091946-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES AstraZeneca AB (SE) 2009-08-26 EP disclosed
WO-2008071927-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
WO-2008071927-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 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-20080139612-A1 Chemical Compound CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 2251/4885CCL5 5/4885
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor PTGER2, PTGER1, PTGDR2 CCR5 2112/4885KCNH2 837/4885CCL5 4595/4885
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CXCR5, CCR2 CCR5 1/4885KCNH2 2562/4885CCL5 4/4885

“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.