SCHEMBL6767802

SCHEMBL6767802

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 8/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11393685 0.91 ALPL (0.37) ALPLHPGDSMN1; SMN2MAPK1CYP3A4
SCHEMBL6767875 0.80 ALDH1A1 (0.53) ALDH1A1TP53HTT
SCHEMBL1220108 0.76 HSD17B10 (0.42) ALPLHPGDMAPK1CYP3A4CYP2C9
SCHEMBL6773600 0.76 ALDH1A1 (0.55) SMN1; SMN2HSD17B10KMT2AALDH1A1KDM4E
SCHEMBL5417695 0.75 AURKA (0.41) ALPLHPGDMAPK1CYP3A4CYP2C9
SCHEMBL6779126 0.75 RXFP1 (0.48) ALPLSMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL6891078 0.75 LMNA (0.55) SMN1; SMN2TP53LMNA
SCHEMBL7663410 0.75 HSD17B10 (0.41) ALPLHPGDMAPK1CYP3A4CYP2C9
SCHEMBL6948324 0.74 KDM4E (0.39) HPGDHSD17B10KMT2AALDH1A1KDM4E
SCHEMBL6770340 0.74 BUB1 (0.40) ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147754-A1 Novel process SMITHKLINE BEECHAM PLC 2004-07-29 US disclosed
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-6716985-B2 ALCOHOLISM, PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-06 US disclosed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP 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-6489347-B1 NOVEL INTERMEDIATE CARBOXALDEHYDES FOR PHARMACEUTICAL PRODUCTS WITH ANTIDEPRESSANT AND ANTI-PARKINSON PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2002-12-03 US disclosed
US-20020133011-A1 Novel process SMITHKLINE BEECHAM PLC 2002-09-19 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
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO 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 (4 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 ALPL 2411/4885HPGD 1539/4885SMN1; SMN2 1796/4885
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 ALPL 2455/4885HPGD 1116/4885SMN1; SMN2 990/4885
US-20020133011-A1 Novel process HTR1A, HTR4, MAOA ALPL 2825/4885HPGD 1363/4885SMN1; SMN2 3833/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B ALPL 3570/4885HPGD 1673/4885SMN1; SMN2 3926/4885

“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.