SCHEMBL4032985

SCHEMBL4032985

COc1cccc(C=CC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.62
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
CCR3 P51677 1/20 0.57
SIGMAR1 Q99720 4/20 0.56
KDM4E B2RXH2 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR2 P41597 1/20 0.53

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
SCHEMBL4032982 1.00 MCHR1 (0.62) MCHR1BCHEACHECCR3SIGMAR1
SCHEMBL9727061 0.83 SIGMAR1 (0.74) MCHR1BCHEACHECCR3SIGMAR1
SCHEMBL9727058 0.83 SIGMAR1 (0.74) MCHR1BCHEACHECCR3SIGMAR1
SCHEMBL6389014 0.82 SIGMAR1 (0.81) MCHR1SIGMAR1
SCHEMBL9727336 0.81 SIGMAR1 (0.65) MCHR1BCHEACHECCR3SIGMAR1
SCHEMBL9727332 0.81 SIGMAR1 (0.65) MCHR1BCHEACHECCR3SIGMAR1
SCHEMBL9727147 0.81 SIGMAR1 (0.60) MCHR1BCHEACHESIGMAR1DRD2
SCHEMBL9727145 0.81 SIGMAR1 (0.60) MCHR1BCHEACHESIGMAR1DRD2
SCHEMBL4034536 0.80 MCHR1 (0.65) MCHR1CCR3SIGMAR1DRD2MEN1
SCHEMBL9852189 0.78 SIGMAR1 (0.58) BCHEACHECCR3SIGMAR1DRD2

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
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 MCHR1 408/4885BCHE 3222/4885ACHE 2721/4885

“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.