SCHEMBL4039294

SCHEMBL4039294

O=C(COc1ncccn1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MCHR1 Q99705 7/20 0.58
POLB P06746 1/20 0.58
CCR1 P32246 1/20 0.54
CCR3 P51677 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ADIPOR2 Q86V24 1/20 0.53
ADIPOR1 Q96A54 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
SCHEMBL4034910 0.88 SIGMAR1 (0.66) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL4036078 0.84 POLB (0.65) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL13888573 0.83 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL4031641 0.83 POLB (0.70) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL17950985 0.82 POLB (0.63) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL17951031 0.82 MCHR1 (0.68) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL17950896 0.82 POLB (0.63) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL4032574 0.82 SIGMAR1 (0.77) SIGMAR1MEN1KMT2AMCHR1CCR1
SCHEMBL17950986 0.82 POLB (0.63) SIGMAR1MEN1KMT2AMCHR1POLB
SCHEMBL4170598 0.82 ADIPOR2 (0.67) SIGMAR1MEN1KMT2AMCHR1POLB

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 6 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
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 SIGMAR1 126/4885MEN1 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.