SCHEMBL6456083

SCHEMBL6456083

COc1cccc(NC(=O)[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.55
ADRA2A P08913 5/20 0.55
HRH1 P35367 5/20 0.55
HTR2B P41595 5/20 0.55
ADRA1A P35348 3/20 0.55
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52

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
SCHEMBL6456095 1.00 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460884 0.89 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460896 0.89 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867131 0.89 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867124 0.89 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457240 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462983 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457233 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462980 0.87 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457584 0.84 POLB (0.56) MCHR1ADRA2AHRH1HTR2BADRA1A

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 MCHR1 2/4885ADRA2A 117/4885HRH1 54/4885

“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.