SCHEMBL10154874

SCHEMBL10154874

Fc1ccc2c(c1)[C@@H]1CNCCC[C@@H]1N2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2A P28223 6/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KCNH2 Q12809 4/20 0.37
DRD2 P14416 2/20 0.37
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 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
SCHEMBL7141988 0.91 HTR2A (0.44) HTR2CHTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL7141991 0.91 HTR2A (0.44) HTR2CHTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL10154877 0.86 PGR (0.42) HTR2CHTR2AKCNH2DRD2CCNT1
SCHEMBL12882685 0.83 HTR2C (0.47) HTR2CHTR2ACHRNB2CHRNB4CHRNA3
SCHEMBL10154858 0.82 HTR2C (0.40) HTR2CHTR2ACHRNB2CHRNA4HTR2B
SCHEMBL14300108 0.82 HTR2C (0.40) HTR2CHTR2ACHRNB2CHRNA4HTR2B
SCHEMBL10154861 0.82 HTR2C (0.40) HTR2CHTR2ACHRNB2CHRNA4HTR2B
SCHEMBL620226 0.78 LMNA (0.45) HTR2CHTR2AHTR2BTSHR
SCHEMBL626149 0.78 LMNA (0.45) HTR2CHTR2AHTR2BTSHR
SCHEMBL620204 0.78 LMNA (0.45) HTR2CHTR2AHTR2BTSHR

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 HTR2C 4/4885HTR2A 53/4885CHRNB2 1242/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B HTR2C 6/4885HTR2A 15/4885CHRNB2 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.