SCHEMBL1843650

SCHEMBL1843650

CC(C)(C)OC(=O)N1CCc2[nH]c3c(C#N)cccc3c2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.51
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
CFTR P13569 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
F12 P00748 1/20 0.41
PABPC1 P11940 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL5510072 0.85 F12 (0.47) LMNAMAPTBAZ2BCFTRHDAC1
SCHEMBL1841280 0.85 LMNA (0.46) LMNAMAPTBAZ2BCFTRHDAC1
SCHEMBL21154244 0.85 CFTR (0.56) LMNAMAPTBAZ2BCFTRHDAC1
SCHEMBL2244149 0.83 CTSK (0.52) CTSKLMNAMAPTBAZ2BCFTR
SCHEMBL1845995 0.83 CTSK (0.51) CTSKLMNAMAPTBAZ2BCFTR
SCHEMBL5512666 0.82 MAPT (0.53) LMNAMAPTBAZ2BCFTRHDAC1
SCHEMBL2241936 0.80 MAPT (0.69) LMNAMAPTBAZ2BCFTRPABPC1
SCHEMBL29357331 0.80 MAPT (0.69) LMNAMAPTBAZ2BCFTRPABPC1
SCHEMBL31117579 0.79 LMNA (0.50) LMNAMAPTBAZ2BCFTRGPR119
SCHEMBL7641200 0.78 ESR2 (0.52) MAPTGPR119ESR2MAPK1

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 CTSK 1677/4885LMNA 2553/4885MAPT 3968/4885

“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.