SCHEMBL6359097

SCHEMBL6359097

CC(=O)O[C@@H]1CCc2ccc([N+](=O)[O-])cc2[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC9 O60706 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRNA7 P36544 1/20 0.38
CTSS P25774 1/20 0.38
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
GPR17 Q13304 1/20 0.37

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
SCHEMBL6358461 0.85 TAS1R3 (0.42) TAS1R3TAS1R1ABCC9TAS1R2CHRNA7
SCHEMBL6363447 0.84 KMT2A (0.43) TAS1R3TAS1R1KMT2AMEN1ABCC9
SCHEMBL6356948 0.78 MEN1 (0.47) KMT2AMEN1MAPTHTTCHRNA7
SCHEMBL8307594 0.77 HSD17B10 (0.43) KMT2AMEN1MAPTHTTSLC6A2
SCHEMBL7107511 0.77 KDM4E (0.45) KMT2AMEN1MAPTHTTPOLB
SCHEMBL7107514 0.77 KDM4E (0.45) KMT2AMEN1MAPTHTTPOLB
SCHEMBL6988386 0.75 CYP3A4 (0.44) POLBHSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL8311548 0.73 DRD2 (0.46) POLBCYP3A4CYP2C9CYP2C19
SCHEMBL8308233 0.68 CHRM4 (0.47) KMT2AMEN1MAPTHTTPOLB
SCHEMBL8789250 0.68 TAS1R3 (0.59) TAS1R3TAS1R1KMT2AMEN1TAS1R2

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
EP-0874625-B1 INDANE DERIVATIVES FOR ANTIPSYCHOTIC COMPOSITIONS LILLY CO ELI (US) 2005-03-16 EP disclosed
US-6429317-B1 MUSCARINIC RECEPTOR MODULATORS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA ELI LILLY AND COMPANY 2002-08-06 US disclosed
US-6395735-B2 AN INDANE-LIKE COMPOUNDS WHICH CAN BE USEFUL FOR TREATING PSYCHOSIS AND OTHER CONDITIONS ASSOCIATED WITH MODULATION OF A MUSCARINIC RECEPTOR ELI LILLY AND COMPANY 2002-05-28 US disclosed
US-20010012848-A1 Pharmaceutical compounds HOLLINSHEAD SEAN PATRICK (US) 2001-08-09 US disclosed
US-6211364-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISEASE; CROHN'S DISEASE; PARKINSON DISEASES ELI LILLY AND COMPANY 2001-04-03 US disclosed
EP-0971885-A4 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-0971885-A1 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-01-19 EP disclosed
WO-1998031660-A1 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS ELI LILLY AND COMPANY (US) 1998-07-23 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 (1 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-20010012848-A1 Pharmaceutical compounds CHRM5, CHRM4, CHRM3 TAS1R3 567/4885TAS1R1 539/4885KMT2A 1606/4885

“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.