SCHEMBL6773129

SCHEMBL6773129

CCOC(=O)c1c[nH]c2c1C(=O)CC(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CLEC4M Q9H2X3 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 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
SCHEMBL6505175 0.88 AKR1C3 (0.41) KMT2AMEN1CLEC4MCYP1A2CYP3A4
SCHEMBL6778119 0.79 KDM4E (0.35) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL6305765 0.79 MAPT (0.48) KMT2AMEN1CLEC4MCYP1A2CYP3A4
SCHEMBL4903460 0.79 BRD4 (0.50) KMT2AMEN1CLEC4MCYP1A2CYP3A4
SCHEMBL6507421 0.79 AKR1C3 (0.38) KMT2AMEN1CLEC4MCYP1A2CYP3A4
SCHEMBL6773220 0.74 MAOB (0.42) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL6767790 0.74 NPC1 (0.48) KMT2AMEN1CYP1A2LMNAPOLB
SCHEMBL394742 0.71 KDM4E (0.49) KMT2AMEN1CLEC4MCYP1A2CYP3A4
SCHEMBL15328780 0.69 BRD4 (0.63) KMT2AMEN1CYP1A2CYP2C19LMNA
SCHEMBL7392509 0.69 GABRA1 (0.41) KMT2AMEN1CLEC4MCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824965-A 4-oxo-4,5,6,7-Tetrahydroindole derivatives BOEHRINGER MANNHEIM GMBH (DE) 1989-04-25 US claimed
US-6720339-B2 SUCH AS N-PHENYL-4-OXO-6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXAMIDE; FOR DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR MEMORY ENHANCEMENT NEUROGEN CORPORATION 2004-04-13 US disclosed
US-20020198204-A1 Such as n-phenyl-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indole-3-carboxamide; for diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs, and for memory enhancement NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2002-12-26 US disclosed
US-6353109-B2 PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS; COGNITION ACTIVATORS NEUROGEN CORPORATION 2002-03-05 US disclosed
US-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators ALBAUGH PAMELA (US) 2001-09-06 US disclosed
EP-0888300-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034870-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 WO disclosed
US-4824965-A 4-oxo-4,5,6,7-Tetrahydroindole derivatives BOEHRINGER MANNHEIM GMBH (DE) 1989-04-25 US disclosed
US-4736043-A Process for the preparation of indole derivatives BOEHRINGER MANNEHEIM GMBH (DE) 1988-04-05 US disclosed
EP-0081137-B1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES, THEIR USE AS INTERMEDIATES, AND 4-HYDROXY INDOLES Roche Diagnostics GmbH (DE) 1986-08-06 EP disclosed
EP-0081137-A2 Process for the preparation of indole derivatives, their use as intermediates, and 4-hydroxy indoles Roche Diagnostics GmbH (DE) 1983-06-15 EP 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 (2 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-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators GABRA1, GABRA4, GABRA2 KMT2A 408/4885MEN1 3579/4885CLEC4M 4070/4885
US-20020198204-A1 Such as n-phenyl-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indole-3-carboxamide; for diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs, and for memory enhancement CNR1, HTR1A, GABRA6 KMT2A 351/4885MEN1 2856/4885CLEC4M 4003/4885

“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.