SCHEMBL3592550

SCHEMBL3592550

CCOC(=O)c1csc(C2CCN(CC[C@@H](c3ccccc3)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.45
KCNH2 Q12809 5/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3597673 0.88 CCR5 (0.43) CCR5KCNH2
SCHEMBL3603896 0.80 CCL5 (0.52) CCR5KCNH2
SCHEMBL2774105 0.71 RAB9A (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL2973357 0.71 CASP3 (0.47) ALDH1A1HSD17B10MEN1KMT2ACYP2C19
SCHEMBL3607309 0.71 CCR5 (0.52) CCR5KCNH2
SCHEMBL3602078 0.71 CCL5 (0.53) CCR5KCNH2
SCHEMBL1884146 0.70 CASP3 (0.48) ALDH1A1HSD17B10MEN1KMT2ACYP2C19
SCHEMBL2142237 0.69 RAB9A (0.57) ALDH1A1MEN1KMT2AMAPK1CYP2C19
SCHEMBL23384839 0.69 CASP3 (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL5915646 0.68 CCR5 (0.53) CCR5KCNH2MEN1KMT2A

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 1/4885KCNH2 2940/4885ALDH1A1 1094/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCR5 1/4885KCNH2 3461/4885ALDH1A1 586/4885

“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.