SCHEMBL4036078

SCHEMBL4036078

O=C(COc1ccc(Cl)cc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
SIGMAR1 Q99720 3/20 0.65
MCHR1 Q99705 7/20 0.64
ATF4 P18848 3/20 0.62
ADIPOR2 Q86V24 1/20 0.61
ADIPOR1 Q96A54 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
USP2 O75604 1/20 0.58

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
SCHEMBL24514569 0.95 ADIPOR2 (0.70) POLBSIGMAR1MCHR1ATF4ADIPOR2
SCHEMBL17951031 0.92 MCHR1 (0.68) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL17950986 0.92 POLB (0.63) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL17950896 0.92 POLB (0.63) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL17950985 0.92 POLB (0.63) POLBSIGMAR1MCHR1ATF4ADIPOR2
SCHEMBL4161579 0.91 SIGMAR1 (0.70) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL4170598 0.91 ADIPOR2 (0.67) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL17950923 0.90 ADIPOR2 (0.63) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL4031641 0.90 POLB (0.70) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1
SCHEMBL2210339 0.90 ADIPOR2 (0.63) POLBSIGMAR1MCHR1ADIPOR2ADIPOR1

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
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
EP-3053911-A1 ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND The University of Tokyo (JP) 2016-08-10 EP disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US 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 (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-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR POLB 4574/4885SIGMAR1 1649/4885MCHR1 290/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 POLB 2244/4885SIGMAR1 126/4885MCHR1 408/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR POLB 4574/4885SIGMAR1 1649/4885MCHR1 290/4885

“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.