SCHEMBL6456993

SCHEMBL6456993

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNCc3ccc(OCc4ccc(Br)cc4)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.41
ACHE P22303 3/20 0.41
ADRA2A P08913 2/20 0.41
NPY5R Q15761 2/20 0.41
BACE1 P56817 2/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LSS P48449 1/20 0.34
APP P05067 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
BCHE P06276 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
SCHEMBL6876392 1.00 MCHR1 (0.41) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6875802 0.87 ACHE (0.48) MCHR1ACHEBACE1
SCHEMBL6875798 0.87 ACHE (0.48) MCHR1ACHEBACE1
SCHEMBL6877562 0.84 ACHE (0.39) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6465890 0.84 ACHE (0.39) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6878788 0.83 MCHR1 (0.39) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6876987 0.83 ACHE (0.46) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6878784 0.83 MCHR1 (0.39) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6876992 0.83 ACHE (0.46) MCHR1ACHEADRA2ANPY5RBACE1
SCHEMBL6868802 0.83 ACHE (0.46) MCHR1ACHEADRA2ANPY5RBACE1

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 2/4885ACHE 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.