SCHEMBL1753668

SCHEMBL1753668

O=c1cc(COc2ccccc2)ccn1-c1ccc(N2CC3(CCNCC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
USP2 O75604 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR1 Q99705 14/20 0.46
KCNH2 Q12809 7/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL1753479 0.89 MCHR1 (0.57) TSHRCYP3A4MCHR1KCNH2
SCHEMBL1753859 0.88 MCHR1 (0.51) TSHRUSP2ALDH1A1TP53CYP1A2
SCHEMBL1753499 0.82 MCHR1 (0.55) CYP3A4MCHR1KCNH2
SCHEMBL1753890 0.81 MCHR1 (0.56) MCHR1KCNH2
SCHEMBL14161241 0.78 MCHR1 (0.62) CYP3A4MCHR1KCNH2
SCHEMBL1753728 0.77 MCHR1 (0.54) CYP3A4MCHR1KCNH2
SCHEMBL1753817 0.77 MCHR1 (0.54) CYP3A4MCHR1KCNH2
SCHEMBL1753724 0.77 TSHR (0.44) TSHRUSP2ALDH1A1TP53CYP1A2
SCHEMBL1753857 0.76 MCHR1 (0.52) CYP3A4MCHR1KCNH2
SCHEMBL1753489 0.76 TSHR (0.55) TSHRUSP2ALDH1A1TP53CYP1A2

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-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

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 TSHR 388/4885USP2 4764/4885ALDH1A1 281/4885

“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.