SCHEMBL6457790

SCHEMBL6457790

CCOc1ccc(OCC)c(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
ADRA2A P08913 6/20 0.45
NPY5R Q15761 4/20 0.45
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.35
VCP P55072 1/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL6879627 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6874122 0.93 MCHR1 (0.48) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6465407 0.93 MCHR1 (0.48) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6880013 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6456819 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6874809 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6874805 0.91 MCHR1 (0.53) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6876857 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6876855 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RRAB9AMEN1
SCHEMBL6873885 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A

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.