SCHEMBL6457965

SCHEMBL6457965

CN(C)c1nc(N[C@H]2CC[C@@H](NCc3c[nH]c4ccc(Br)cc34)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.46
MCHR1 Q99705 6/20 0.46
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 2/20 0.38
SLC6A4 P31645 4/20 0.37
IDO1 P14902 1/20 0.37
HTR1A P08908 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL6874250 1.00 ADRA2A (0.46) ADRA2AMCHR1BCHEACHELMNA
SCHEMBL6878992 0.90 MCHR1 (0.49) ADRA2AMCHR1BCHEACHENPY5R
SCHEMBL6460992 0.90 MCHR1 (0.49) ADRA2AMCHR1BCHEACHENPY5R
SCHEMBL6458578 0.88 BCHE (0.44) BCHEACHELMNAHTTSLC6A4
SCHEMBL6874191 0.88 BCHE (0.44) BCHEACHELMNAHTTSLC6A4
SCHEMBL6467595 0.88 LMNA (0.53) ADRA2AMCHR1BCHEACHELMNA
SCHEMBL6875174 0.88 LMNA (0.53) ADRA2AMCHR1BCHEACHELMNA
SCHEMBL13793703 0.83 MCHR1 (0.66) ADRA2AMCHR1NPY5RHTR1AOPRM1
SCHEMBL6878474 0.79 BCHE (0.43) ADRA2AMCHR1BCHEACHELMNA
SCHEMBL6456848 0.79 BCHE (0.43) ADRA2AMCHR1BCHEACHELMNA

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
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 ADRA2A 117/4885MCHR1 2/4885BCHE 119/4885

“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.