SCHEMBL10128050

SCHEMBL10128050

Cc1ccc2c(c1)[C@@H]1CN(C)CCC[C@H]1N2Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HTR6 P50406 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
THRB P10828 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40

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
SCHEMBL10127877 1.00 GAA (0.52) GAACHRM2CHRM1CHRM3APOBEC3A
SCHEMBL8027789 0.91 GAA (0.52) GAACHRM2CHRM1CHRM3APOBEC3A
SCHEMBL10127858 0.91 GAA (0.52) GAACHRM2CHRM1CHRM3APOBEC3A
SCHEMBL8021826 0.91 GAA (0.52) GAACHRM2CHRM1CHRM3APOBEC3A
SCHEMBL12868246 0.89 GAA (0.48) GAACHRM2CHRM1CHRM3APOBEC3A
SCHEMBL10128059 0.87 GAA (0.48) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127880 0.87 GAA (0.48) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127804 0.87 GAA (0.57) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127868 0.87 GAA (0.57) GAAAPOBEC3AAPOBEC3GALDH1A1HTR6
SCHEMBL10127936 0.87 GAA (0.57) 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 5 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
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 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 (2 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-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 GAA 3994/4885CHRM2 26/4885CHRM1 17/4885
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC GAA 4611/4885CHRM2 113/4885CHRM1 18/4885

“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.