SCHEMBL4041470

SCHEMBL4041470

Cc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
SIGMAR1 Q99720 3/20 0.66
MCHR1 Q99705 1/20 0.63
CCR3 P51677 1/20 0.62
SLC6A12 P48065 1/20 0.60
DRD4 P21917 4/20 0.60
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HTR7 P34969 1/20 0.56

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
SCHEMBL2954759 0.87 SSTR5 (0.68) POLBMEN1KMT2AMCHR1CCR3
SCHEMBL4039743 0.85 MEN1 (0.64) POLBMEN1KMT2ASIGMAR1MCHR1
SCHEMBL7567069 0.83 MEN1 (0.70) POLBMEN1KMT2ASIGMAR1MCHR1
SCHEMBL4034750 0.83 MEN1 (0.67) POLBMEN1KMT2ASIGMAR1MCHR1
SCHEMBL6312739 0.82 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1MCHR1SLC6A12
SCHEMBL4034726 0.82 KMT2A (0.78) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL12511819 0.81 SIGMAR1 (0.70) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL2213082 0.80 SIGMAR1 (0.76) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL7487718 0.79 SIGMAR1 (0.74) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL4976899 0.79 SIGMAR1 (0.70) POLBMEN1KMT2ASIGMAR1MCHR1

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 POLB 2244/4885MEN1 4130/4885KMT2A 2580/4885

“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.