SCHEMBL3604839

SCHEMBL3604839

CS(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.74
MAPT P10636 4/20 0.74
PKM P14618 1/20 0.74
RAB9A P51151 1/20 0.74
NPSR1 Q6W5P4 1/20 0.68
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH3A1 P30838 1/20 0.56
GAA P10253 2/20 0.53
DRD2 P14416 1/20 0.53
POLB P06746 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL6585695 0.86 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6161561 0.85 MAPK1 (0.80) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL5857432 0.84 ALDH3A1 (0.55) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3288703 0.84 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3590004 0.84 DRD2 (0.56) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3604934 0.84 MAPK1 (0.52) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6159635 0.83 MAPK1 (1.00) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL5857392 0.82 ALDH3A1 (0.58) MAPK1MAPTPKMRAB9ANPSR1
Hydrochloric Acid SCHEMBL11102389 0.82 MAPK1 (0.97) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL4440176 0.81 HCAR3 (0.54) MAPK1MAPTPKMRAB9ANPSR1

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 9 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-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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 (3 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 MAPK1 1544/4885MAPT 3920/4885PKM 1813/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 MAPK1 1411/4885MAPT 4454/4885PKM 4065/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 MAPK1 1614/4885MAPT 2915/4885PKM 1443/4885

“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.