SCHEMBL6462062

SCHEMBL6462062

CC(NC(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
ADRA2A P08913 7/20 0.41
EPHX2 P34913 2/20 0.41
GPR139 Q6DWJ6 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
SSTR4 P31391 1/20 0.40
EPHX1 P07099 2/20 0.40

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
SCHEMBL6457316 1.00 MCHR1 (0.42) MCHR1METAP2METAP1ADRA2AEPHX2
SCHEMBL6880213 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6880216 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868596 0.89 EPHX1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868601 0.89 EPHX1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6869014 0.85 EPHX1 (0.46) MCHR1ADRA2AGPR139HTR1AADRA1A
SCHEMBL6869011 0.85 EPHX1 (0.46) MCHR1ADRA2AGPR139HTR1AADRA1A
SCHEMBL6456053 0.84 MCHR1 (0.44) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6456045 0.84 MCHR1 (0.44) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4266597 0.84 METAP2 (0.41) MCHR1METAP2METAP1EPHX2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885METAP2 2457/4885METAP1 2779/4885

“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.