SCHEMBL6463407

SCHEMBL6463407

CCCc1ccccc1NC(=O)NCC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.41
MAPK14 Q16539 3/20 0.39
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
HTR2B P41595 2/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK8 P45983 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 2/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
JUN P05412 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK9 P45984 1/20 0.36
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6463401 1.00 MCHR1 (0.41) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6875360 0.94 MCHR1 (0.43) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6875353 0.94 MCHR1 (0.43) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6872291 0.89 KMT2A (0.47) MCHR1MAPK14KMT2AMAPK8CDK2
SCHEMBL6872289 0.89 KMT2A (0.47) MCHR1MAPK14KMT2AMAPK8CDK2
SCHEMBL6876330 0.87 MCHR1 (0.45) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6876325 0.87 MCHR1 (0.45) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL7114626 0.87 MCHR1 (0.46) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL7114622 0.87 MCHR1 (0.46) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6873985 0.86 MCHR1 (0.43) MCHR1MAPK14ADRA2AADRA1AHTR2B

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 2/4885MAPK14 1922/4885ADRA2A 117/4885

“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.