SCHEMBL3389601

SCHEMBL3389601

CCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1nc(C)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.54
HCRTR1 O43613 13/20 0.54
CYP3A4 P08684 1/20 0.39

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
Hydrochloric Acid SCHEMBL3390146 0.99 HCRTR2 (0.53) HCRTR2HCRTR1CYP3A4
SCHEMBL3383694 0.90 HCRTR2 (0.50) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL3388194 0.89 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL3387276 0.86 HCRTR2 (0.63) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL3383575 0.85 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL10121575 0.84 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL7911805 0.83 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL3386456 0.81 HCRTR1 (0.60) HCRTR2HCRTR1CYP3A4
SCHEMBL262832 0.81 HCRTR1 (0.60) HCRTR2HCRTR1CYP3A4
SCHEMBL3383668 0.80 HCRTR2 (0.55) HCRTR2HCRTR1

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
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 HCRTR2 1425/4885HCRTR1 2016/4885CYP3A4 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.