SCHEMBL6464865

SCHEMBL6464865

COc1ccc(NC(=O)NC2CCC(Nc3nc(C)c(C)c(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRA2A P08913 4/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
CHRM4 P08173 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 0.40
KMT2A Q03164 3/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL6459715 1.00 MCHR1 (0.55) MCHR1SMN1; SMN2NPSR1ADRA2ANPC1
SCHEMBL6462893 0.86 MCHR1 (0.57) MCHR1SMN1; SMN2NPSR1ADRA2ANPC1
SCHEMBL6462885 0.86 MCHR1 (0.57) MCHR1SMN1; SMN2NPSR1ADRA2ANPC1
SCHEMBL4028731 0.84 MCHR1 (0.64) MCHR1SMN1; SMN2NPSR1ADRA2AMAPT
SCHEMBL4028728 0.84 MCHR1 (0.64) MCHR1SMN1; SMN2NPSR1ADRA2AMAPT
SCHEMBL6458641 0.84 SMN1; SMN2 (0.47) MCHR1SMN1; SMN2NPSR1ADRA2ANPC1
SCHEMBL6458645 0.84 SMN1; SMN2 (0.47) MCHR1SMN1; SMN2NPSR1ADRA2ANPC1
Hydrochloric Acid SCHEMBL5530266 0.84 MCHR1 (0.63) MCHR1SMN1; SMN2NPSR1ADRA2AMAPT
Hydrochloric Acid SCHEMBL5530260 0.84 MCHR1 (0.63) MCHR1SMN1; SMN2NPSR1ADRA2AMAPT
Trifluoroacetic Acid SCHEMBL6459529 0.81 NPC1 (0.51) MCHR1ADRA2ANPC1MAPTCNR1

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 2/4885SMN1; SMN2 1477/4885NPSR1 67/4885

“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.