SCHEMBL6472115

SCHEMBL6472115

NC(=O)C1(CC(c2ccccc2)C(F)(F)F)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
PARP1 P09874 1/20 0.36
PREP P48147 3/20 0.35
CTSL P07711 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CETP P11597 2/20 0.34
EPHX1 P07099 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL518234 0.81 MME (0.39) MMEKMT2AMEN1CETPEPHX1
SCHEMBL6470515 0.80 MME (0.35) MMEKMT2AMEN1CETPEPHX1
SCHEMBL4991851 0.78 SLC6A2 (0.39) PARP1PREPOPRK1SLC6A2SLC6A4
SCHEMBL5538602 0.75 MME (0.39) MMEKMT2AMEN1CETP
SCHEMBL535200 0.75 CYP2D6 (0.38) MMEKMT2AMEN1EPHX1SLC6A3
SCHEMBL2432098 0.74 CYP1A2 (0.53) KMT2AMEN1OPRK1
Hydrochloric Acid SCHEMBL6926712 0.74 MME (0.39) MMEKMT2AMEN1CETP
SCHEMBL2432526 0.74 CYP1A2 (0.53) KMT2AMEN1OPRK1
SCHEMBL5695495 0.73 USP19 (0.38) PARP1PREPCTSLOPRK1SLC6A2
SCHEMBL2913177 0.72 AKR1C1 (0.34) KMT2AMEN1OPRK1

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 1 patent. 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 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 MME 1593/4885PARP1 2979/4885PREP 2647/4885

“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.