SCHEMBL297790

SCHEMBL297790

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CNc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.39
HCRTR2 O43614 8/20 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
SCHEMBL264271 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL15243486 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL10144962 0.82 HCRTR1 (0.39) HCRTR1
SCHEMBL31372467 0.76 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL31372534 0.76 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL31336652 0.76 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL288847 0.74 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL295410 0.74 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL16032362 0.73 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL16032364 0.73 HCRTR1 (0.60) HCRTR1HCRTR2

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-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT HCRTR1 3105/4885HCRTR2 2178/4885

“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.