SCHEMBL2931508

SCHEMBL2931508

Cc1ccc(Br)c(C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
PIK3CA P42336 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 8/20 0.33
NPC1 O15118 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.31
F2R P25116 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
SCHEMBL2931793 0.90 POLB (0.38) POLBPIK3CAMEN1KMT2AMAPT
SCHEMBL8207645 0.84 ALDH1A1 (0.35) POLBMEN1KMT2AMAPTHTT
SCHEMBL2927512 0.83 CYP46A1 (0.41) POLBPIK3CAHCRTR1HCRTR2
SCHEMBL2931509 0.82 HTR2A (0.35) POLBMEN1KMT2AMAPTHTT
SCHEMBL2928729 0.81 HCRTR1 (0.42) POLBHCRTR1HCRTR2
SCHEMBL2924235 0.81 POLB (0.39) POLBPIK3CAALDH1A1HPGDHCRTR1
SCHEMBL2929940 0.81 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2926153 0.79 HDAC7 (0.44) POLBHCRTR1HCRTR2
SCHEMBL2931094 0.79 PIK3CA (0.36) POLBPIK3CAHCRTR1HCRTR2
SCHEMBL2932481 0.79 GRM2 (0.40) 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
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 POLB 2990/4885PIK3CA 2067/4885MEN1 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.