SCHEMBL3308539

SCHEMBL3308539

CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(C(=O)OCc4ccccc4)cc3c2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PABPC1 P11940 1/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BAZ2B Q9UIF8 8/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL61054 0.85 L3MBTL1 (0.49) MAPK1ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL61377 0.85 MEN1 (0.56) MAPK1ALDH1A1KDM4EPOLBALOX15
SCHEMBL3312381 0.85 LMNA (0.57) MAPK1ALDH1A1KDM4EPOLBALOX15
SCHEMBL61901 0.84 LMNA (0.60) MAPK1ALDH1A1KDM4EPOLBALOX15
SCHEMBL13328959 0.84 POLB (0.76) MAPK1ALDH1A1KDM4EPOLBALOX15
SCHEMBL31117573 0.81 LMNA (0.55) LMNASMN1; SMN2PABPC1ATMBAZ2B
SCHEMBL30228387 0.81 TRPV1 (0.59) LMNASMN1; SMN2PABPC1ATMBAZ2B
SCHEMBL3305724 0.80 LMNA (0.50) MAPK1ALDH1A1KDM4EPOLBALOX15
SCHEMBL29357331 0.79 MAPT (0.69) MAPK1ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL2241936 0.79 MAPT (0.69) MAPK1ALDH1A1KDM4EALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 MAPK1 1515/4885ALDH1A1 1706/4885KDM4E 1552/4885

“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.