SCHEMBL6770508

SCHEMBL6770508

CC1CC(=O)c2c(C(=O)Nc3ccc4ccccc4n3)c[nH]c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 9/20 0.48
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SORT1 Q99523 1/20 0.43
KMT2A Q03164 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MTOR P42345 1/20 0.41
WNT3A P56704 2/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6895945 0.85 KDR (0.35) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL7388445 0.83 NPC1 (0.50) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL6773309 0.79 AHR (0.48) KMT2AMAPTTP53HPGD
SCHEMBL6772512 0.76 LMNA (0.53) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6777504 0.75 TYK2 (0.43) NPC1RAB9AKMT2APOLBSMN1; SMN2
SCHEMBL6770247 0.74 ALDH1A1 (0.46) NPC1RAB9AKMT2AMAPTPOLB
SCHEMBL6771713 0.74 LMNA (0.40) NPC1RAB9AKMT2AADORA2BMAPT
SCHEMBL6502758 0.72 NPC1 (0.56) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL6772359 0.72 POLB (0.49) NPC1RAB9AKMT2AMAPTTP53
SCHEMBL5735789 0.71 NHERF1 (0.46) NPC1RAB9AHPGDSMN1; 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 9 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
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 NPC1 1043/4885RAB9A 1157/4885CASP3 1529/4885
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 NPC1 868/4885RAB9A 2080/4885CASP3 1247/4885

“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.