SCHEMBL1840393

SCHEMBL1840393

CC(C)(C)OC(=O)N1CC[C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
RORC P51449 1/20 0.41
TACR1 P25103 1/20 0.41
P2RX7 Q99572 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
EPHX2 P34913 1/20 0.39
SFRP1 Q8N474 2/20 0.39
RBP4 P02753 2/20 0.39
LIPE Q05469 2/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5133430 1.00 USP30 (0.41) USP30RORCTACR1P2RX7GPR119
SCHEMBL1842912 1.00 USP30 (0.41) USP30RORCTACR1P2RX7GPR119
SCHEMBL1842914 1.00 USP30 (0.41) USP30RORCTACR1P2RX7GPR119
SCHEMBL6494299 0.84 GPR119 (0.43) USP30RORCGPR119JAK2JAK1
SCHEMBL6494303 0.84 GPR119 (0.43) USP30RORCGPR119JAK2JAK1
SCHEMBL1841886 0.84 IDO1 (0.40) USP30RORCTACR1GPR119JAK2
SCHEMBL1843090 0.84 IDO1 (0.40) USP30RORCTACR1GPR119JAK2
SCHEMBL1843088 0.84 IDO1 (0.40) USP30RORCTACR1GPR119JAK2
SCHEMBL1843411 0.83 GPR119 (0.42) USP30GPR119JAK2JAK1TYK2
SCHEMBL1844576 0.82 GPR119 (0.44) USP30GPR119JAK2JAK1TYK2

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 3824/4885RORC 1781/4885TACR1 69/4885

“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.