SCHEMBL1753744

SCHEMBL1753744

O=c1cc(COc2ccccc2)ccn1-c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.53
KCNH2 Q12809 9/20 0.51
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL14372898 0.86 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL1753482 0.86 MCHR1 (0.66) MCHR1KCNH2
SCHEMBL2895116 0.79 MCHR1 (0.81) MCHR1KCNH2
SCHEMBL14372891 0.76 MCHR1 (0.50) MCHR1KCNH2
SCHEMBL1753659 0.76 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL1753668 0.75 TSHR (0.50) MCHR1KCNH2
SCHEMBL10059384 0.75 MCHR1 (0.70) MCHR1KCNH2
SCHEMBL1753476 0.74 HTT (0.38) MCHR1
SCHEMBL2894081 0.73 MCHR1 (0.67) MCHR1KCNH2
SCHEMBL12059668 0.73 MCHR1 (0.56) MCHR1KCNH2

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-2102208-B1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2014-04-23 EP disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
WO-2008068265-A1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
WO-2007141200-A1 NOVEL N-ARYL AND N-HETEROARYL SUBSTITUTED PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 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-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 1578/4885MRGPRX4 558/4885

“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.