SCHEMBL2931793

SCHEMBL2931793

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PIK3CA P42336 1/20 0.34
HPGD P15428 5/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
TSHR P16473 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2931508 0.90 POLB (0.38) POLBPIK3CAHPGDALDH1A1NPC1
SCHEMBL8212395 0.84 ALDH1A1 (0.38) POLBHPGDALDH1A1NPC1RAB9A
SCHEMBL2924235 0.83 POLB (0.39) POLBPIK3CAHPGDALDH1A1HCRTR1
SCHEMBL2931197 0.82 HTR2A (0.38) POLBHPGDALDH1A1NPC1RAB9A
SCHEMBL2931198 0.82 HTR2A (0.38) POLBHPGDALDH1A1NPC1RAB9A
SCHEMBL2926153 0.81 HDAC7 (0.44) POLBHCRTR1HCRTR2
SCHEMBL2930897 0.81 HCRTR1 (0.37) POLBPIK3CAHCRTR1HCRTR2
SCHEMBL2927512 0.81 CYP46A1 (0.41) POLBPIK3CAHCRTR1HCRTR2
SCHEMBL2924872 0.81 HDAC7 (0.36) POLBHCRTR1HCRTR2
SCHEMBL2931970 0.80 GRM2 (0.37) POLBALDH1A1HTTLMNASMN1; SMN2

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 2067/4885HPGD 1029/4885

“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.