SCHEMBL6466796

SCHEMBL6466796

C[C@@H]1CCc2nc(NC3CCC(NCc4c[nH]nc4-c4ccc(C(F)(F)F)cc4)CC3)nc(N)c2[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.32
ACHE P22303 2/20 0.30
ADRA2A P08913 1/20 0.30
MCHR1 Q99705 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
SCHEMBL6464926 0.91 SLC2A1 (0.36) ACHEADRA2AMCHR1
SCHEMBL6869029 0.77 MCHR1 (0.40) SCN9AACHEADRA2AMCHR1
SCHEMBL6876414 0.73 MCHR1 (0.37) SCN9AACHEADRA2AMCHR1
SCHEMBL6876409 0.73 MCHR1 (0.37) SCN9AACHEADRA2AMCHR1
SCHEMBL6459940 0.73 MCHR1 (0.40) ACHEADRA2AMCHR1
SCHEMBL13797305 0.72 MCHR1 (0.59) ADRA2AMCHR1
SCHEMBL6878998 0.68 MCHR1 (0.39) ADRA2AMCHR1
SCHEMBL6462541 0.68 MCHR1 (0.39) ADRA2AMCHR1
SCHEMBL6873895 0.68 MCHR1 (0.43) ADRA2AMCHR1
SCHEMBL6873890 0.68 MCHR1 (0.43) ADRA2AMCHR1

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 2 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 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 SCN9A 4045/4885ACHE 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.