SCHEMBL10154858

SCHEMBL10154858

Cc1ccc2c(c1)[C@@H]1CNCCC[C@H]1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KIF11 P52732 1/20 0.37
HTR2A P28223 5/20 0.37
HTR2B P41595 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAPDH P04406 1/20 0.33
POLB P06746 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
PTPN7 P35236 1/20 0.33
BRCA1 P38398 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
SCHEMBL14300108 1.00 HTR2C (0.40) HTR2CCHRNB2CHRNA4KIF11HTR2A
SCHEMBL10154861 1.00 HTR2C (0.40) HTR2CCHRNB2CHRNA4KIF11HTR2A
SCHEMBL11834071 0.91 HTR2C (0.42) HTR2CCHRNB2CHRNA4KIF11HTR2A
SCHEMBL29400162 0.91 HTR2C (0.42) HTR2CCHRNB2CHRNA4KIF11HTR2A
SCHEMBL13356231 0.83 HTR2C (0.51) HTR2CCHRNB2CHRNA4HTR2AHTR2B
SCHEMBL10154874 0.82 HTR2C (0.40) HTR2CCHRNB2CHRNA4HTR2AHTR2B
SCHEMBL21260467 0.81 TSHR (0.41) HTR2CCHRNB2CHRNA4KIF11SMN1; SMN2
SCHEMBL18560180 0.79 KIF11 (0.40) HTR2CCHRNB2CHRNA4KIF11SMN1; SMN2
SCHEMBL18560189 0.79 KIF11 (0.40) HTR2CCHRNB2CHRNA4KIF11SMN1; SMN2
SCHEMBL620226 0.78 LMNA (0.45) HTR2CHTR2AHTR2B

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
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

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 4/4885CHRNB2 1242/4885CHRNA4 1104/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B HTR2C 6/4885CHRNB2 245/4885CHRNA4 111/4885

“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.