SCHEMBL6464926

SCHEMBL6464926

C[C@@H]1CCc2nc(NC3CCC(CNCc4c[nH]nc4-c4ccc(C(F)(F)F)cc4)CC3)nc(N)c2[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
VCP P55072 1/20 0.31
EP300 Q09472 1/20 0.30
ACHE P22303 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL6466796 0.91 SCN9A (0.32) MCHR1ADRA2AACHE
SCHEMBL6459940 0.83 MCHR1 (0.40) SLC2A1MCHR1ADRA2ANPY5RVCP
SCHEMBL6457323 0.79 MCHR1 (0.48) MCHR1ADRA2ANPY5R
SCHEMBL6873895 0.79 MCHR1 (0.43) SLC2A1MCHR1ADRA2ANPY5R
SCHEMBL6873890 0.79 MCHR1 (0.43) SLC2A1MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL6457797 0.78 MCHR1 (0.47) MCHR1ADRA2ANPY5R
SCHEMBL6462321 0.76 GAA (0.34) SLC2A1MCHR1ADRA2ANPY5RACHE
SCHEMBL6462228 0.74 CDK1 (0.33) MCHR1ADRA2ANPY5R
SCHEMBL13796887 0.74 MCHR1 (0.61) MCHR1ADRA2ANPY5R
SCHEMBL6460351 0.72 CD274 (0.33) MCHR1ADRA2ANPY5R

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
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
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 SLC2A1 2329/4885MCHR1 2/4885ADRA2A 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.