SCHEMBL2926435

SCHEMBL2926435

Cc1cccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)c1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
PIK3CD O00329 1/20 0.37
HCRTR2 O43614 14/20 0.36
HCRTR1 O43613 13/20 0.36
TP53 P04637 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL2924244 0.84 CYP46A1 (0.39) PIK3CDHCRTR2HCRTR1TP53PRCP
SCHEMBL2930955 0.83 HCRTR2 (0.38) PIK3CDHCRTR2HCRTR1TP53PRCP
SCHEMBL8205452 0.83 MGLL (0.40) MGLLPIK3CDHCRTR2HCRTR1TP53
SCHEMBL13538909 0.83 HCRTR1 (0.41) HCRTR2HCRTR1ALDH1A1
SCHEMBL2926433 0.82 MGLL (0.38) MGLLPIK3CDHCRTR2HCRTR1ALDH1A1
SCHEMBL2931914 0.82 HCRTR2 (0.39) PIK3CDHCRTR2HCRTR1
SCHEMBL2925493 0.80 HCRTR2 (0.37) PIK3CDHCRTR2HCRTR1
SCHEMBL2930744 0.80 HCRTR2 (0.37) PIK3CDHCRTR2HCRTR1PRCP
SCHEMBL13176494 0.80 HCRTR1 (0.39) MGLLPIK3CDHCRTR2HCRTR1
SCHEMBL2930074 0.79 SLC6A7 (0.35) 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 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 MGLL 4396/4885PIK3CD 1972/4885HCRTR2 2/4885

“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.