SCHEMBL3390604

SCHEMBL3390604

O=C(O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.47
HCRTR2 O43614 13/20 0.47
CYP3A4 P08684 1/20 0.45
DPP4 P27487 1/20 0.42

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
SCHEMBL2790371 1.00 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4DPP4
SCHEMBL13309233 0.86 HCRTR1 (0.43) HCRTR1HCRTR2CYP3A4
SCHEMBL262575 0.85 ITGB1 (0.45) HCRTR1HCRTR2CYP3A4
SCHEMBL6519881 0.84 HCRTR1 (0.54) HCRTR1HCRTR2CYP3A4
SCHEMBL2796617 0.83 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL7910556 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3385637 0.82 CYP3A4 (0.50) HCRTR1HCRTR2CYP3A4
SCHEMBL3385643 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3388555 0.80 CYP3A4 (0.73) HCRTR1HCRTR2CYP3A4
SCHEMBL7912839 0.80 CYP3A4 (0.73) HCRTR1HCRTR2CYP3A4

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR1 2016/4885HCRTR2 1425/4885CYP3A4 60/4885

“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.