SCHEMBL1844576

SCHEMBL1844576

CC(C)(C)OC(=O)N1CC[C@H]2Nc3c(C#N)cccc3[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.44
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
USP30 Q70CQ3 1/20 0.38
PARP1 P09874 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
STS P08842 1/20 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
SCHEMBL1844577 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1840952 1.00 GPR119 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1839317 0.84 USP30 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1839318 0.84 USP30 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL1840899 0.84 USP30 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL6494299 0.83 GPR119 (0.43) GPR119MEN1KMT2AUSP30PARP1
SCHEMBL6494303 0.83 GPR119 (0.43) GPR119MEN1KMT2AUSP30PARP1
SCHEMBL5133430 0.82 USP30 (0.41) GPR119MEN1KMT2AUSP30JAK2
SCHEMBL1843411 0.82 GPR119 (0.42) GPR119MAPTDDB1CRBNUSP30
SCHEMBL1842914 0.82 USP30 (0.41) GPR119MEN1KMT2AUSP30JAK2

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 3 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
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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 (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 GPR119 24/4885MEN1 1780/4885ALDH1A1 1837/4885

“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.