SCHEMBL6894700

SCHEMBL6894700

CC1(C)CC(=O)c2c(C(=O)Nc3nccs3)c[nH]c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
GCK P35557 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7388191 0.81 ROCK2 (0.51) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL6767268 0.81 NPC1 (0.43) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL8056224 0.81 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL6891078 0.78 LMNA (0.55) PKMSMN1; SMN2LMNABUB1
SCHEMBL6894018 0.77 RXFP1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6767875 0.75 ALDH1A1 (0.53) ALDH1A1
SCHEMBL6778451 0.75 HTT (0.39) BUB1
SCHEMBL6770578 0.75 BUB1 (0.50) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL6773600 0.74 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6779126 0.74 RXFP1 (0.48) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators ALBAUGH PAMELA (US) 2001-09-06 US claimed
EP-0888300-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP claimed
WO-1997034870-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 WO 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

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 RAB9A 1157/4885NPC1 1043/4885ALDH1A1 1550/4885
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 RAB9A 2080/4885NPC1 868/4885ALDH1A1 736/4885

“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.