SCHEMBL6458031

SCHEMBL6458031

CN(C)c1ccnc(NC2CCC(CNC(=O)Cc3csc4ccccc34)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 6/20 0.40
MAPT P10636 2/20 0.39
VCP P55072 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
MAPK14 Q16539 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL6458026 1.00 HTR1A (0.44) HTR1ASMN1; SMN2TP53RXFP1MCHR1
SCHEMBL6873958 0.89 HTR1A (0.47) HTR1AMCHR1VCPMAPK14ADRA2A
SCHEMBL6873963 0.89 HTR1A (0.47) HTR1AMCHR1VCPMAPK14ADRA2A
SCHEMBL6875309 0.86 MCHR1 (0.47) HTR1ASMN1; SMN2TP53MCHR1MAPT
SCHEMBL6875303 0.86 MCHR1 (0.47) HTR1ASMN1; SMN2TP53MCHR1MAPT
SCHEMBL6456719 0.86 MCHR1 (0.42) MCHR1OPRM1ADRA2AADRA1AHRH1
SCHEMBL6456731 0.86 MCHR1 (0.42) MCHR1OPRM1ADRA2AADRA1AHRH1
SCHEMBL6457031 0.83 MCHR1 (0.43) HTR1AMCHR1VCPADRA2AADRA1A
SCHEMBL6457021 0.83 MCHR1 (0.43) HTR1AMCHR1VCPADRA2AADRA1A
SCHEMBL13793786 0.83 MCHR1 (0.52) HTR1AMCHR1ADRA2AADRA1AHRH1

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 HTR1A 57/4885SMN1; SMN2 1477/4885TP53 4482/4885

“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.