SCHEMBL4977798

SCHEMBL4977798

COc1ccc(S(=O)(=O)CCC2(C)CCN(CC[C@@H](c3cc(F)cc(F)c3)N3CCN(S(C)(=O)=O)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.48
MMP1 P03956 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
KCNH2 Q12809 4/20 0.37
HTR7 P34969 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
LOX P28300 1/20 0.35
MMP13 P45452 1/20 0.34
MC4R P32245 1/20 0.34
ADAM17 P78536 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5502263 1.00 CCR5 (0.48) CCR5MMP1MMP2MMP9KCNH2
SCHEMBL4973495 0.91 CCR5 (0.57) CCR5MMP1MMP2MMP9KCNH2
SCHEMBL5503283 0.90 CCR5 (0.55) CCR5MMP1MMP2MMP9KCNH2
SCHEMBL14284030 0.80 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6ALDH1A1
SCHEMBL5498416 0.80 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6ALDH1A1
SCHEMBL4975853 0.76 CCR5 (0.51) CCR5KCNH2CYP2D6
SCHEMBL4980101 0.70 CCR5 (0.49) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL6011337 0.68 CCR5 (0.53) CCR5KCNH2
SCHEMBL4974373 0.67 CCR5 (0.46) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL4977781 0.65 CCR2 (0.46) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 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 (1 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 CCR5 1/4885MMP1 2022/4885MMP2 2774/4885

“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.