SCHEMBL3595609

SCHEMBL3595609

Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@@H](c1cc(F)cc(F)c1)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNE1 P15382 1/20 0.45
OPRM1 P35372 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45

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
SCHEMBL3595607 1.00 CCR5 (0.56) CCR5CYP3A4ADRA2ACYP2C9KCNE1
SCHEMBL3591589 0.87 CCR5 (0.43) CCR5CYP3A4KCNH2
SCHEMBL3604754 0.81 CCR5 (0.47) CCR5KCNH2
SCHEMBL3593750 0.76 CCR5 (0.53) CCR5KCNH2
SCHEMBL3604590 0.75 CCR5 (0.51) CCR5CYP3A4KCNH2
SCHEMBL3607166 0.73 CCR5 (0.43) CCR5CYP3A4CYP2C9KCNH2
SCHEMBL3603950 0.73 CCR5 (0.43) CCR5CYP3A4CYP2C9KCNH2
SCHEMBL3603948 0.73 CCR5 (0.43) CCR5CYP3A4CYP2C9KCNH2
SCHEMBL3595208 0.72 CCR5 (0.61) CCR5CYP3A4KCNH2
SCHEMBL4581898 0.72 CCR5 (0.56) CCR5CYP3A4ADRA2ACYP2C9KCNE1

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-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-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO 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 1/4885CYP3A4 1516/4885ADRA2A 54/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCR5 1/4885CYP3A4 294/4885ADRA2A 106/4885

“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.