SCHEMBL6464705

SCHEMBL6464705

COc1cc(OC)cc(C(=O)NC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.56
ADRA2A P08913 2/20 0.56
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
NPY5R Q15761 2/20 0.45
CNR1 P21554 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
LMNA P02545 1/20 0.41
CXCR3 P49682 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6464708 1.00 MCHR1 (0.56) MCHR1ADRA2AKDM4EMEN1ALDH1A1
SCHEMBL6459000 0.93 MCHR1 (0.48) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6459008 0.93 MCHR1 (0.48) MCHR1ADRA2AMEN1ALDH1A1KMT2A
SCHEMBL6467582 0.88 MCHR1 (0.70) MCHR1ADRA2AMEN1KMT2ANPY5R
SCHEMBL6467597 0.88 MCHR1 (0.70) MCHR1ADRA2AMEN1KMT2ANPY5R
SCHEMBL6459380 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5R
SCHEMBL6460341 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5RKCNH2ACACB
SCHEMBL6459374 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5R
SCHEMBL6460326 0.88 MCHR1 (0.57) MCHR1ADRA2ANPY5RKCNH2ACACB
SCHEMBL6872722 0.86 HDAC3 (0.48) MCHR1ADRA2ANPY5RACACBACACA

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 117/4885KDM4E 1190/4885

“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.