SCHEMBL1753676

SCHEMBL1753676

O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 1.00
KCNH2 Q12809 11/20 1.00
HRH3 Q9Y5N1 1/20 0.78
LTA4H P09960 1/20 0.69
HTT P42858 1/20 0.65

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
SCHEMBL1753860 0.99 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4HHTT
SCHEMBL2890233 0.94 MCHR1 (0.90) MCHR1KCNH2HRH3
SCHEMBL4534814 0.91 MCHR1 (0.86) MCHR1KCNH2HRH3LTA4HHTT
SCHEMBL2887436 0.89 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4H
SCHEMBL2887739 0.89 MCHR1 (0.98) MCHR1KCNH2HRH3
SCHEMBL2895116 0.89 MCHR1 (0.81) MCHR1KCNH2HRH3LTA4HHTT
SCHEMBL2890154 0.88 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4H
SCHEMBL2892783 0.88 MCHR1 (1.00) MCHR1KCNH2HRH3
SCHEMBL2890372 0.88 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4H
SCHEMBL2892570 0.88 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4H

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 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
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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 (2 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR MCHR1 535/4885KCNH2 1619/4885HRH3 28/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 1578/4885HRH3 1292/4885

“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.