SCHEMBL6462686

SCHEMBL6462686

COc1cc(C(=O)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.52
ADRA2A P08913 11/20 0.52
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 1/20 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
SCHEMBL6462694 1.00 MCHR1 (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6462958 0.90 MCHR1 (0.42) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6462961 0.90 MCHR1 (0.42) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6458449 0.89 ADRA2A (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6458462 0.89 ADRA2A (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877272 0.89 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877264 0.89 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463741 0.87 ADRA2A (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463734 0.87 ADRA2A (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6463227 0.87 ADRA2A (0.56) MCHR1ADRA2AHTR1AADRA1AHRH1

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 5 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
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 2/4885ADRA2A 117/4885HTR1A 57/4885

“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.