SCHEMBL1840314

SCHEMBL1840314

CN1c2c(C#N)cc(Br)cc2C2CN(C(=O)OC(C)(C)C)CCC21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 12/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37

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
SCHEMBL1842217 1.00 USP30 (0.43) USP30RETMEN1ALDH1A1MAPT
SCHEMBL1842624 1.00 USP30 (0.43) USP30RETMEN1ALDH1A1MAPT
SCHEMBL1842174 0.90 USP30 (0.41) USP30RETMEN1ALDH1A1MAPT
SCHEMBL1842294 0.90 USP30 (0.41) USP30RETMEN1ALDH1A1MAPT
SCHEMBL1842297 0.89 USP30 (0.40) USP30RETMEN1ALDH1A1MAPT
SCHEMBL1846813 0.88 JAK2 (0.41) RETMEN1ALDH1A1MAPTKMT2A
SCHEMBL1843458 0.88 JAK2 (0.41) RETMEN1ALDH1A1MAPTKMT2A
SCHEMBL5132990 0.88 JAK2 (0.41) RETMEN1ALDH1A1MAPTKMT2A
SCHEMBL1846814 0.88 JAK2 (0.41) RETMEN1ALDH1A1MAPTKMT2A
SCHEMBL1840294 0.84 GPR119 (0.44) USP30RETMEN1ALDH1A1MAPT

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
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 3824/4885RET 572/4885MEN1 1780/4885

“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.