SCHEMBL6456045

SCHEMBL6456045

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 12/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
NPY5R Q15761 1/20 0.42
EPHX1 P07099 3/20 0.41

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
SCHEMBL6456053 1.00 MCHR1 (0.44) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6868601 0.91 EPHX1 (0.53) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6868596 0.91 EPHX1 (0.53) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6460344 0.88 PTGIR (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6460333 0.88 PTGIR (0.48) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6460716 0.86 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6460722 0.86 MCHR1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6874577 0.85 LMNA (0.52) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6874583 0.85 LMNA (0.52) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A
SCHEMBL6869014 0.85 EPHX1 (0.46) MCHR1LMNAKDM4ESMN1; SMN2ADRA2A

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
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885LMNA 3391/4885KDM4E 1190/4885

“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.