SCHEMBL3589931

SCHEMBL3589931

CS(=O)(=O)c1ccc2c(c1)ncn2C1CCN(CCC(O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
DRD2 P14416 1/20 0.48
TACR2 P21452 1/20 0.46
CCR5 P51681 8/20 0.45
PKM P14618 1/20 0.42
HTR1A P08908 2/20 0.42
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 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
SCHEMBL5858734 0.91 CCR5 (0.52) SLC6A4DRD2TACR2CCR5
SCHEMBL5857199 0.90 DRD2 (0.49) SLC6A4DRD2TACR2CCR5PKM
SCHEMBL3596577 0.89 DRD2 (0.48) SLC6A4DRD2TACR2CCR5PKM
SCHEMBL3597050 0.84 CCR5 (0.46) SLC6A4DRD2TACR2CCR5PKM
SCHEMBL3610524 0.83 CCR5 (0.58) SLC6A4DRD2TACR2CCR5
SCHEMBL5451946 0.82 CCR5 (0.58) CCR5
SCHEMBL5451951 0.82 CCR5 (0.58) CCR5
SCHEMBL3597043 0.82 DRD2 (0.49) SLC6A4DRD2TACR2PKMHTR1A
SCHEMBL3602016 0.81 DRD2 (0.55) SLC6A4DRD2PKMALDH1A1
SCHEMBL3591535 0.76 SLC6A4 (0.46) SLC6A4DRD2TACR2CCR5PKM

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 SLC6A4 1423/4885DRD2 608/4885TACR2 116/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 SLC6A4 1243/4885DRD2 938/4885TACR2 60/4885

“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.