SCHEMBL6463643

SCHEMBL6463643

Cc1c(N[C@H]2CC[C@@H](CNCc3ccccc3OC(F)(F)F)CC2)nc2ccccc2c1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.54
MCHR1 Q99705 11/20 0.54
NPY5R Q15761 7/20 0.54
PRKCQ Q04759 1/20 0.40
EPHX2 P34913 2/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
GPR6 P46095 1/20 0.37
MGLL Q99685 1/20 0.37
DCPS Q96C86 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
SCHEMBL6828839 1.00 ADRA2A (0.54) ADRA2AMCHR1NPY5RPRKCQEPHX2
Hydrochloric Acid SCHEMBL6456272 0.99 ADRA2A (0.53) ADRA2AMCHR1NPY5RPRKCQEPHX2
SCHEMBL6463409 0.89 ADRA2A (0.46) ADRA2AMCHR1NPY5RPRKCQEPHX2
SCHEMBL6463406 0.89 ADRA2A (0.46) ADRA2AMCHR1NPY5RPRKCQEPHX2
Hydrochloric Acid SCHEMBL6464588 0.88 ADRA2A (0.46) ADRA2AMCHR1NPY5RPRKCQEPHX2
SCHEMBL13793992 0.81 NPY5R (0.63) ADRA2AMCHR1NPY5RPRKCQEPHX2
Hydrochloric Acid SCHEMBL3942791 0.81 NPY5R (0.62) ADRA2AMCHR1NPY5RPRKCQEPHX2
Hydrochloric Acid SCHEMBL3942793 0.81 NPY5R (0.62) ADRA2AMCHR1NPY5RPRKCQEPHX2
SCHEMBL13793960 0.79 MCHR1 (0.82) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3946437 0.78 MCHR1 (0.81) ADRA2AMCHR1NPY5R

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 ADRA2A 117/4885MCHR1 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.