SCHEMBL6778320

SCHEMBL6778320

CC1(C)CC(=O)c2c(C(=O)Nc3ccc4ccc(Cl)nc4n3)c[nH]c2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.40
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
ALPL P05186 2/20 0.36
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
BUB1 O43683 9/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6778451 0.85 HTT (0.39) RXFP1HTTRECQLALPLBUB1
SCHEMBL7388480 0.83 NPC1 (0.34) HTTBUB1ROCK2ROCK1ALDH1A1
SCHEMBL6891078 0.74 LMNA (0.55) RXFP1TP53THRBBUB1NTRK3
SCHEMBL6767875 0.74 ALDH1A1 (0.53) RXFP1HTTTP53THRBNTRK3
SCHEMBL6773600 0.73 ALDH1A1 (0.55) RXFP1HTTTP53THRBBUB1
SCHEMBL6779126 0.72 RXFP1 (0.48) RXFP1HTTALPLTP53THRB
SCHEMBL6894700 0.72 RAB9A (0.47) BUB1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6770340 0.71 BUB1 (0.40) RXFP1TP53THRBBUB1NTRK3
SCHEMBL6894018 0.71 RXFP1 (0.43) RXFP1HTTALPLTP53THRB
SCHEMBL6770578 0.71 BUB1 (0.50) HTTALPLBUB1EHMT2ALDH1A1

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 8 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

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 RXFP1 278/4885HTT 2145/4885RECQL 2476/4885
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 RXFP1 207/4885HTT 1772/4885RECQL 3230/4885

“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.