SCHEMBL10154877

SCHEMBL10154877

Fc1cccc(-c2ccc3c(c2)[C@@H]2CNCCC[C@@H]2N3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CHEK1 O14757 7/20 0.36
CDK2AP1 O14519 1/20 0.36
PAX8 Q06710 2/20 0.36
KCNH2 Q12809 6/20 0.36
MELK Q14680 3/20 0.36
PLK4 O00444 1/20 0.36
GAK O14976 1/20 0.36
JAK2 O60674 1/20 0.36
ULK1 O75385 1/20 0.36
RPS6KA4 O75676 1/20 0.36
STK10 O94804 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 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
SCHEMBL10154874 0.86 HTR2C (0.40) CCNT1CDK9KCNH2HTR2AHTR2C
SCHEMBL6216357 0.79 KDM4E (0.41) KCNH2HTR2AHTR2C
SCHEMBL6249002 0.79 HTR2C (0.43) KCNH2HTR2AHTR2C
SCHEMBL6220656 0.79 HTR2C (0.43) KCNH2HTR2AHTR2C
SCHEMBL7141991 0.77 HTR2A (0.44) KCNH2HTR2AHTR2CDRD2
SCHEMBL7141988 0.77 HTR2A (0.44) KCNH2HTR2AHTR2CDRD2
SCHEMBL10154861 0.75 HTR2C (0.40) HTR2AHTR2C
SCHEMBL10154858 0.75 HTR2C (0.40) HTR2AHTR2C
SCHEMBL14300108 0.75 HTR2C (0.40) HTR2AHTR2C
SCHEMBL620225 0.74 LMNA (0.45) AURKBHTR2AHTR2C

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 6 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
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-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 PGR 1053/4885CCNT1 603/4885CDK9 1545/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B PGR 1022/4885CCNT1 1189/4885CDK9 2258/4885

“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.