SCHEMBL3597043

SCHEMBL3597043

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
SLC6A4 P31645 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
TACR2 P21452 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HTR2A P28223 1/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
HTR1A P08908 1/20 0.43
TSHR P16473 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
MAPK1 P28482 1/20 0.42

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 0.82 CCR5 (0.52) DRD2SLC6A4TACR2
SCHEMBL3589931 0.82 SLC6A4 (0.48) DRD2SLC6A4TACR2ALDH1A1PKM
SCHEMBL3602016 0.82 DRD2 (0.55) DRD2SLC6A4ALDH1A1HTR2AKMT2A
SCHEMBL5857199 0.81 DRD2 (0.49) DRD2SLC6A4TACR2PKM
SCHEMBL3596577 0.80 DRD2 (0.48) DRD2SLC6A4TACR2ALDH1A1PKM
SCHEMBL3597050 0.76 CCR5 (0.46) DRD2SLC6A4TACR2PKM
SCHEMBL3610524 0.75 CCR5 (0.58) DRD2SLC6A4TACR2
SCHEMBL5451946 0.74 CCR5 (0.58)
SCHEMBL5451951 0.74 CCR5 (0.58)
SCHEMBL3596054 0.72 LMNA (0.43) NPC1ALDH1A1KMT2AGAALMNA

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 8 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-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-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
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 DRD2 608/4885SLC6A4 1423/4885SIGMAR1 269/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 DRD2 938/4885SLC6A4 1243/4885SIGMAR1 442/4885

“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.