SCHEMBL6463570

SCHEMBL6463570

COc1cc(OC)c(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
ADRA2A P08913 7/20 0.49
NPY5R Q15761 5/20 0.49
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
APP P05067 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL6875587 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6873090 0.94 MCHR1 (0.47) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6873084 0.94 MCHR1 (0.47) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6880955 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ECYP1A2
SCHEMBL6880961 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4ECYP1A2
SCHEMBL6874559 0.91 MCHR1 (0.54) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6874567 0.91 MCHR1 (0.54) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6868098 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RCYP1A2CYP3A4
SCHEMBL6868105 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RCYP1A2CYP3A4
SCHEMBL6873885 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RALDH1A1CYP1A2

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 4 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
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 MCHR1 2/4885ADRA2A 117/4885NPY5R 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.