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SCHEMBL10154853

SCHEMBL10154853

Cc1ccc2c(c1)[C@@H]1CNCCC[C@@H]1N2CCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HRH1 P35367 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ RPLP1 P05386 1/20 0.33
▸ RPLP0 P05388 1/20 0.33
▸ RPS17 P08708 1/20 0.33

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
SCHEMBL10127937 0.83 GAA (0.49) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL8034705 0.83 GAA (0.49) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL10127847 0.83 GAA (0.49) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL10154862 0.82 HRH3 (0.37) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL13368705 0.82 GAA (0.55) HTR6GAAAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL10154856 0.81 CHRM2 (0.43) HRH3HRH1HTR6GAAALDH1A1
SCHEMBL10154859 0.80 GRIN2B (0.37) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL14216400 0.80 HRH3 (0.38) HRH3HRH1HTR6GAAAPOBEC3A
SCHEMBL8032476 0.79 ALDH1A1 (0.42) HRH3HTR6GAAAPOBEC3AAPOBEC3G
SCHEMBL10154855 0.78 ALDH1A1 (0.53) HTR6GAAAPOBEC3AAPOBEC3GALDH1A1

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 HRH3 174/4885HRH1 154/4885HTR6 117/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B HRH3 39/4885HRH1 51/4885HTR6 1/4885

“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.