SCHEMBL2926433

SCHEMBL2926433

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
PIK3CD O00329 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.35
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
PIK3CA P42336 1/20 0.34
CFD P00746 2/20 0.33
ENPP3 O14638 1/20 0.32
ALPL P05186 1/20 0.32
XIAP P98170 1/20 0.32
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2924242 0.84 FABP4 (0.42) PIK3CDALDH1A1POLBHCRTR1HCRTR2
SCHEMBL8205452 0.84 MGLL (0.40) MGLLPIK3CDALDH1A1POLBHCRTR1
SCHEMBL2930954 0.83 POLB (0.39) PIK3CDALDH1A1POLBHCRTR1HCRTR2
SCHEMBL2926435 0.82 MGLL (0.37) MGLLPIK3CDALDH1A1HCRTR1HCRTR2
SCHEMBL2931912 0.81 APOB (0.38) PIK3CDALDH1A1POLBHCRTR1HCRTR2
SCHEMBL2930742 0.81 PIK3CA (0.35) PIK3CDALDH1A1HCRTR1HCRTR2PIK3CA
SCHEMBL2925490 0.81 PIK3CD (0.37) PIK3CDALDH1A1HCRTR1HCRTR2
SCHEMBL2931039 0.80 HCRTR2 (0.39) PIK3CDHCRTR1HCRTR2HSD17B10
SCHEMBL2930073 0.80 PDE4B (0.37) HCRTR1HCRTR2CFD
SCHEMBL2928147 0.79 HCRTR1 (0.36) PIK3CDALDH1A1HCRTR1HCRTR2PIK3CA

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 1972/4885ALDH1A1 702/4885

“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.