SCHEMBL1840899

SCHEMBL1840899

CC(C)(C)OC(=O)N1CC[C@@H]2Nc3c(C#N)cc(Br)cc3[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 12/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
RET P07949 1/20 0.36
PIK3CD O00329 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
SCHEMBL1839317 1.00 USP30 (0.41) USP30IDO1TDO2MAPTMEN1
SCHEMBL1839318 1.00 USP30 (0.41) USP30IDO1TDO2MAPTMEN1
SCHEMBL1843088 0.85 IDO1 (0.40) USP30IDO1TDO2MAPTGPR119
SCHEMBL1843090 0.85 IDO1 (0.40) USP30IDO1TDO2MAPTGPR119
SCHEMBL1841886 0.85 IDO1 (0.40) USP30IDO1TDO2MAPTGPR119
SCHEMBL1840952 0.84 GPR119 (0.44) USP30MAPTMEN1ALDH1A1KMT2A
SCHEMBL1844576 0.84 GPR119 (0.44) USP30MAPTMEN1ALDH1A1KMT2A
SCHEMBL1844577 0.84 GPR119 (0.44) USP30MAPTMEN1ALDH1A1KMT2A
SCHEMBL1843347 0.83 IDO1 (0.40) USP30IDO1TDO2MAPTGPR119
SCHEMBL5133995 0.83 IDO1 (0.40) USP30IDO1TDO2MAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 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 (1 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-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A USP30 3824/4885IDO1 367/4885TDO2 939/4885

“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.