SCHEMBL4033285

SCHEMBL4033285

COc1ccc(NC(=O)CCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.65
SIGMAR1 Q99720 6/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ACKR3 P25106 2/20 0.53
DRD4 P21917 1/20 0.52
CCR3 P51677 2/20 0.51
CCR1 P32246 1/20 0.50

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
SCHEMBL17951031 0.85 MCHR1 (0.68) MCHR1SIGMAR1MEN1KMT2A
SCHEMBL4031569 0.85 SIGMAR1 (0.67) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL4034921 0.83 MCHR1 (0.77) MCHR1SIGMAR1MEN1KMT2A
SCHEMBL4033429 0.82 POLB (0.59) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL6389014 0.80 SIGMAR1 (0.81) MCHR1SIGMAR1ACKR3
SCHEMBL4034199 0.80 SIGMAR1 (0.73) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL4202919 0.80 SIGMAR1 (0.70) MCHR1SIGMAR1MEN1KMT2ACCR3
Lithium Ion SCHEMBL4034196 0.79 SIGMAR1 (0.69) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL7487718 0.79 SIGMAR1 (0.74) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL4034536 0.79 MCHR1 (0.65) MCHR1SIGMAR1MEN1KMT2ADRD4

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 7 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 claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
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 408/4885SIGMAR1 126/4885MEN1 4130/4885

“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.