SCHEMBL3595451

SCHEMBL3595451

CS(=O)(=O)N1CCC(C(CCN2CCC(c3nc(C(=O)NCc4ccccc4)cs3)CC2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.49
KCNH2 Q12809 4/20 0.49
CCL5 P13501 6/20 0.48
SLC40A1 Q9NP59 1/20 0.42
CCR2 P41597 1/20 0.41

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
SCHEMBL3602078 0.89 CCL5 (0.53) CCR5KCNH2CCL5
SCHEMBL3603896 0.85 CCL5 (0.52) CCR5KCNH2CCL5
SCHEMBL5779614 0.72 CCR5 (0.64) CCR5KCNH2CCL5
SCHEMBL13547427 0.70 CCR5 (0.61) CCR5KCNH2CCL5
SCHEMBL1044679 0.70 CNR1 (0.40)
SCHEMBL4976049 0.69 CCL5 (0.56) CCR5KCNH2CCL5
SCHEMBL3591668 0.69 CCL5 (0.56) CCR5KCNH2CCL5
SCHEMBL3593750 0.67 CCR5 (0.53) CCR5KCNH2CCL5
SCHEMBL5776852 0.67 CCR5 (0.62) CCR5KCNH2CCL5
SCHEMBL14086982 0.67 CCR5 (0.64) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 2940/4885CCL5 8/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCR5 1/4885KCNH2 3461/4885CCL5 8/4885

“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.