SCHEMBL5218232

SCHEMBL5218232

CS(=O)(=O)c1ccc([C@@H](CCN2CCC(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.53
KCNH2 Q12809 2/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
KCNJ1 P48048 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
SCHEMBL5222946 0.92 CCR5 (0.54) CCR5KCNH2CYP2D6KCNJ1
SCHEMBL5221348 0.89 CCR5 (0.55) CCR5KCNH2CYP2D6
SCHEMBL5222205 0.88 CCR5 (0.55) CCR5KCNH2CYP2D6
SCHEMBL5219147 0.84 CCR5 (0.60) CCR5KCNH2CYP2D6
SCHEMBL5220551 0.83 CCR5 (0.61) CCR5KCNH2CYP2D6
SCHEMBL5218332 0.82 CCR5 (0.49) CCR5KCNH2CYP2D6KCNJ1
SCHEMBL5219971 0.81 CCR5 (0.60) CCR5KCNH2CYP2D6
SCHEMBL5221867 0.80 CCR5 (0.56) CCR5KCNH2CYP2D6
SCHEMBL3303563 0.80 CCR5 (0.59) CCR5KCNH2CYP2D6
SCHEMBL5218446 0.79 CCR5 (0.57) CCR5KCNH2CYP2D6

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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 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 (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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CCR5 1/4885KCNH2 2301/4885CYP2D6 557/4885

“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.