SCHEMBL6463406

SCHEMBL6463406

Cc1c(N[C@H]2CC[C@@H](CNCc3ccccc3OC(F)(F)F)CC2)nc2cccc(C)c2c1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.46
MCHR1 Q99705 6/20 0.46
NPY5R Q15761 5/20 0.46
DCPS Q96C86 1/20 0.41
GPR6 P46095 1/20 0.39
PRKCQ Q04759 2/20 0.39
EPHX2 P34913 5/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
C5AR1 P21730 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2J2 P51589 3/20 0.33
ELANE P08246 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL6463409 1.00 ADRA2A (0.46) ADRA2AMCHR1NPY5RDCPSGPR6
Hydrochloric Acid SCHEMBL6464588 0.99 ADRA2A (0.46) ADRA2AMCHR1NPY5RDCPSGPR6
SCHEMBL6828839 0.89 ADRA2A (0.54) ADRA2AMCHR1NPY5RDCPSGPR6
SCHEMBL6463643 0.89 ADRA2A (0.54) ADRA2AMCHR1NPY5RDCPSGPR6
Hydrochloric Acid SCHEMBL6456272 0.88 ADRA2A (0.53) ADRA2AMCHR1NPY5RDCPSGPR6
SCHEMBL6466799 0.82 APP (0.35) ADRA2AMCHR1NPY5RGPR6ELANE
SCHEMBL6457077 0.81 SSTR5 (0.35) ADRA2AMCHR1NPY5RGPR6ELANE
Hydrochloric Acid SCHEMBL6614692 0.79 MCHR1 (0.51) ADRA2AMCHR1NPY5RDCPSPRKCQ
SCHEMBL6462207 0.78 CD274 (0.41) PRKCQELANE
SCHEMBL13793992 0.74 NPY5R (0.63) ADRA2AMCHR1NPY5RPRKCQEPHX2

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 6 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
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 2/4885NPY5R 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.