Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128040

SCHEMBL10128040

SCHEMBL10128040

Cc1ccc2c(c1)[C@@H]1CN(C)CCC[C@H]1N2CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ APOBEC3A P31941 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42

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
SCHEMBL8036541 1.00 GAA (0.56) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL12882152 0.94 GAA (0.62) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127936 0.90 GAA (0.57) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127804 0.90 GAA (0.57) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127868 0.90 GAA (0.57) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127861 0.89 GAA (0.47) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL8038334 0.89 GAA (0.47) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL8031097 0.89 GAA (0.47) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL13141412 0.89 GAA (0.47) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL8021826 0.87 GAA (0.52) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 — — US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 — — EP disclosed
WO-2008024029-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-02-28 — — WO 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC GAA 4611/4885APOBEC3A 2671/4885APOBEC3G 3750/4885

“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.