SCHEMBL6463906

SCHEMBL6463906

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc([N+](=O)[O-])s3)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MCHR1 Q99705 4/20 0.41
NPY5R Q15761 4/20 0.41
ADRA2A P08913 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 1/20 0.37
HTT P42858 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
CTSB P07858 1/20 0.36

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
SCHEMBL6458473 1.00 KMT2A (0.42) KMT2AMCHR1NPY5RADRA2ASMN1; SMN2
SCHEMBL6465011 0.89 SMN1; SMN2 (0.52) KMT2AMCHR1NPY5RADRA2ASMN1; SMN2
SCHEMBL6465016 0.89 SMN1; SMN2 (0.52) KMT2AMCHR1NPY5RADRA2ASMN1; SMN2
SCHEMBL6461587 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2ASMN1; SMN2LMNA
SCHEMBL6461583 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2ASMN1; SMN2LMNA
SCHEMBL6459475 0.87 MCHR1 (0.44) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6459486 0.87 MCHR1 (0.44) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL13793247 0.85 MCHR1 (0.56) MCHR1NPY5RADRA2A
SCHEMBL6874524 0.83 MCHR1 (0.47) MCHR1NPY5RADRA2ASMN1; SMN2LMNA
SCHEMBL6874532 0.83 MCHR1 (0.47) MCHR1NPY5RADRA2ASMN1; SMN2LMNA

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
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 KMT2A 693/4885MCHR1 2/4885NPY5R 8/4885

“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.