SCHEMBL1572028

SCHEMBL1572028

O=C(NC[C@@H]1C[C@@H]2C[C@@H]2N1)c1noc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 16/20 0.48
▸ CHRNA7 P36544 1/20 0.44
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL923968 0.89 HIF1A (0.50) HIF1ACHRNA7ROCK1
SCHEMBL1571717 0.77 RAB9A (0.54) CHRNA7
SCHEMBL1571854 0.77 RAB9A (0.54) CHRNA7
SCHEMBL496329 0.75 HIF1A (0.43) HIF1ACHRNA7
SCHEMBL1572330 0.73 HCRTR1 (0.41) —
SCHEMBL1572333 0.73 HCRTR1 (0.41) —
SCHEMBL496256 0.72 HIF1A (0.50) HIF1ACHRNA7ROCK1
SCHEMBL29580510 0.71 HIF1A (0.60) HIF1A
SCHEMBL20189383 0.70 HIF1A (0.67) HIF1ACHRNA7
SCHEMBL29581395 0.70 HIF1A (0.67) HIF1ACHRNA7

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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 — — US disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 — — 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 HIF1A 532/4885CHRNA7 83/4885ROCK1 3629/4885

“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.

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