SCHEMBL1244098

SCHEMBL1244098

CCOC(OCC)[C@@H]1NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 17/20 0.44
KCNH2 Q12809 12/20 0.40
CACNA1F O60840 3/20 0.39
CACNA1D Q01668 3/20 0.39
CACNA1S Q13698 3/20 0.39
CACNA1C Q13936 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6717602 0.80 SSTR3 (0.65) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL6717600 0.80 SSTR3 (0.65) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL6716256 0.77 SSTR3 (0.69) SSTR3KCNH2MEN1KMT2AKDM4E
SCHEMBL6716252 0.77 SSTR3 (0.69) SSTR3KCNH2MEN1KMT2AKDM4E
SCHEMBL13244879 0.74 KDM4E (0.49) SSTR3KCNH2KDM4EALDH1A1
SCHEMBL13244716 0.74 SSTR3 (0.69) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL3010196 0.73 SSTR3 (0.50) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL1244095 0.72 SSTR3 (0.70) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL12890523 0.72 SSTR3 (0.70) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL3010300 0.72 SSTR3 (0.46) SSTR3KCNH2CACNA1FCACNA1DCACNA1S

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377578-B1 BETA-CARBOLINE DERIVATIVES AND ITS PHARMACEUTICAL USE AGAINST DEPRESSION AND ANXIETY NOVARTIS AG (CH) 2011-07-20 EP claimed
US-6861430-B2 β-carboline derivatives and its pharmaceutical use against depression and anxiety NOVARTIS AG (CH) 2005-03-01 US claimed
US-20040132735-A1 Beta-carboline derivatives and its pharmaceutical use aginst depression and anxiety NOVARTIS AG (CH) 2004-07-08 US claimed
EP-1377578-A1 BETA-CARBOLINE DERIVATIVES AND ITS PHARMACEUTICAL USE AGAINST DEPRESSION AND ANXIETY Novartis AG (CH) 2004-01-07 EP claimed
WO-2002081471-A1 BETA-CARBOLINE DERIVATIVES AND ITS PHARMACEUTICAL USE AGAINST DEPRESSION AND ANXIETY NOVARTIS AG (CH) 2002-10-17 WO claimed
US-7879859-B2 increasing insulin secretion via somatostatin subtype 3 receptor (SST3) as target; knocking down expression of SST3 selective antagonist MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090131451-A1 Diagnosis and treatment of type 2 diabetes and other disorders MERCK SHARP & DOHME CORP. 2009-05-21 US disclosed
US-6861430-B2 β-carboline derivatives and its pharmaceutical use against depression and anxiety NOVARTIS AG (CH) 2005-03-01 US 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-20040132735-A1 Beta-carboline derivatives and its pharmaceutical use aginst depression and anxiety ADRB1, ADRB2, ADRA1B SSTR3 1415/4885KCNH2 727/4885CACNA1F 404/4885
US-20090131451-A1 Diagnosis and treatment of type 2 diabetes and other disorders SSTR3, SSTR2, SSTR4 SSTR3 1/4885KCNH2 2449/4885CACNA1F 1303/4885

“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.