SCHEMBL6466930

SCHEMBL6466930

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3c[nH]c4ccc(Br)cc34)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.49
ADRA2A P08913 6/20 0.49
NPY5R Q15761 4/20 0.49
SIGMAR1 Q99720 1/20 0.40
SLC6A4 P31645 2/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6875524 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RSIGMAR1SLC6A4
SCHEMBL6873067 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RSLC6A4BCHE
SCHEMBL6873072 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RSLC6A4BCHE
SCHEMBL6878138 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RSIGMAR1SLC6A4
SCHEMBL6878146 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RSIGMAR1SLC6A4
SCHEMBL6878414 0.89 TP53 (0.44) MCHR1ADRA2ANPY5RSIGMAR1BCHE
SCHEMBL6878418 0.89 TP53 (0.44) MCHR1ADRA2ANPY5RSIGMAR1BCHE
SCHEMBL13796380 0.85 MCHR1 (0.68) MCHR1ADRA2ANPY5R
SCHEMBL6874567 0.83 MCHR1 (0.54) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6874559 0.83 MCHR1 (0.54) MCHR1ADRA2ANPY5RBCHEACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.