SCHEMBL4258087

SCHEMBL4258087

CC(C)(C)OC(=O)NC1CCC(NCc2ccc(Br)cc2OC(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.50
MCHR1 Q99705 5/20 0.50
EPHX2 P34913 2/20 0.43
NPY5R Q15761 2/20 0.42
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
AAK1 Q2M2I8 5/20 0.38
DRD2 P14416 2/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCRL2 O00421 1/20 0.36
CCR5 P51681 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
SCHEMBL4258082 1.00 ADRA2A (0.50) ADRA2AMCHR1EPHX2NPY5RKDM1A
SCHEMBL15359447 0.88 EPHX2 (0.55) ADRA2AMCHR1EPHX2NPY5RMEN1
SCHEMBL30400350 0.85 AAK1 (0.44) KDM1AMAOBAAK1DRD2KMT2A
SCHEMBL23124560 0.84 MCHR1 (0.59) ADRA2AMCHR1EPHX2NPY5RHTT
SCHEMBL14606862 0.81 MCHR1 (0.57) ADRA2AMCHR1EPHX2NPY5RHTT
SCHEMBL3710703 0.81 EPHX2 (0.51) ADRA2AMCHR1EPHX2NPY5RAAK1
SCHEMBL3947055 0.80 MCHR1 (0.54) ADRA2AMCHR1NPY5RKDM1AMAOB
SCHEMBL3947061 0.80 MCHR1 (0.54) ADRA2AMCHR1NPY5RKDM1AMAOB
SCHEMBL4262295 0.79 MCHR1 (0.55) ADRA2AMCHR1EPHX2NPY5RKDM1A
SCHEMBL4262293 0.79 MCHR1 (0.55) ADRA2AMCHR1EPHX2NPY5RKDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
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 (2 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 2/4885EPHX2 1053/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 ADRA2A 178/4885MCHR1 3/4885EPHX2 746/4885

“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.