SCHEMBL2931084

SCHEMBL2931084

Cc1ccc(-c2ccccc2C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.44
HCRTR1 O43613 11/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL3412528 1.00 HCRTR2 (0.44) HCRTR2HCRTR1MEN1KMT2APIK3CA
SCHEMBL3416998 0.88 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL2931896 0.88 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL2926957 0.87 CDK4 (0.41) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL3416131 0.87 CDK4 (0.41) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL3414065 0.87 CDK4 (0.41) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL2930537 0.85 TSHR (0.46) HCRTR2HCRTR1
SCHEMBL3415640 0.85 TSHR (0.46) HCRTR2HCRTR1
SCHEMBL2931086 0.84 HCRTR2 (0.43) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL3412532 0.84 HCRTR2 (0.43) HCRTR2HCRTR1MEN1KMT2A

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
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR2 2/4885HCRTR1 1/4885MEN1 956/4885

“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.