SCHEMBL6456848

SCHEMBL6456848

COc1ccc2[nH]cc(CNC[C@H]3CC[C@@H](Nc4nc5c(c(N(C)C)n4)CCCC5)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.43
ACHE P22303 5/20 0.43
ADRA2A P08913 1/20 0.41
NPY5R Q15761 1/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL6878474 1.00 BCHE (0.43) BCHEACHEADRA2ANPY5RMCHR1
SCHEMBL6458578 0.90 BCHE (0.44) BCHEACHELMNAHTR2AKDM4E
SCHEMBL6874191 0.90 BCHE (0.44) BCHEACHELMNAHTR2AKDM4E
SCHEMBL6460992 0.89 MCHR1 (0.49) BCHEACHEADRA2ANPY5RMCHR1
SCHEMBL6878992 0.89 MCHR1 (0.49) BCHEACHEADRA2ANPY5RMCHR1
SCHEMBL6457143 0.87 NPY5R (0.46) BCHEACHEADRA2ANPY5RMCHR1
SCHEMBL6876052 0.87 NPY5R (0.46) BCHEACHEADRA2ANPY5RMCHR1
SCHEMBL6867249 0.85 MCHR1 (0.48) ADRA2ANPY5RMCHR1LMNAMAPT
SCHEMBL6457972 0.85 MCHR1 (0.44) ADRA2ANPY5RMCHR1KDM4EMAPT
SCHEMBL6873945 0.85 MCHR1 (0.44) ADRA2ANPY5RMCHR1KDM4EMAPT

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 BCHE 119/4885ACHE 197/4885ADRA2A 117/4885

“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.