SCHEMBL10154856

SCHEMBL10154856

Cc1ccc2c(c1)[C@@H]1CNCCC[C@@H]1N2CCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNA4 P43681 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.39
HRH1 P35367 2/20 0.38
HTR6 P50406 1/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL10154862 0.88 HRH3 (0.37) HRH3GAAHRH1HTR6KDM4E
SCHEMBL10154859 0.87 GRIN2B (0.37) HRH3GAAHRH1HTR6KDM4E
SCHEMBL8027789 0.83 GAA (0.52) CHRM2CHRM1CHRM3HRH3GAA
SCHEMBL10127858 0.83 GAA (0.52) CHRM2CHRM1CHRM3HRH3GAA
SCHEMBL8021826 0.83 GAA (0.52) CHRM2CHRM1CHRM3HRH3GAA
SCHEMBL8032476 0.82 ALDH1A1 (0.42) HRH3GAAHTR6KDM4EALDH1A1
SCHEMBL10154853 0.81 HRH3 (0.40) HRH3GAAHRH1HTR6KDM4E
SCHEMBL14216279 0.80 HRH3 (0.39) HRH3GAAHRH1HTR6THRB
SCHEMBL14258735 0.79 THRB (0.44) CHRNB2CHRNA4GAATHRBKDM4E
SCHEMBL10154855 0.79 ALDH1A1 (0.53) GAAHTR6THRBKDM4EALDH1A1

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-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC CHRM2 113/4885CHRM1 18/4885CHRNB2 1242/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B CHRM2 35/4885CHRM1 32/4885CHRNB2 245/4885

“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.