SCHEMBL739962

SCHEMBL739962

CC(=O)Oc1ccc2[nH]cc3c2c1C(C)N(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MAOA P21397 1/20 0.35
NR1H2 P55055 1/20 0.34
DRD2 P14416 3/20 0.33
DRD1 P21728 2/20 0.33
TSHR P16473 1/20 0.33
ESR2 Q92731 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.31
NPC1 O15118 1/20 0.31
PDE4D Q08499 2/20 0.31
EPHX2 P34913 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
SCHEMBL743056 0.86 MAOA (0.39) MTNR1AMTNR1BMAOADRD2DRD1
SCHEMBL31424446 0.74 NR1H2 (0.43) NR1H2ESR2PRMT5WDR77SMN1; SMN2
SCHEMBL1998581 0.70 OPRK1 (0.34) TSHRSMN1; SMN2
SCHEMBL29210587 0.70 DRD2 (0.43) NR1H2DRD2ESR2PRMT5WDR77
SCHEMBL30983685 0.70 DRD2 (0.43) NR1H2DRD2ESR2PRMT5WDR77
SCHEMBL30983668 0.68 ESR2 (0.44) NR1H2DRD2DRD1ESR2SMN1; SMN2
SCHEMBL29210657 0.68 NR1H2 (0.41) NR1H2DRD2ESR2NPC1
SCHEMBL30983671 0.68 NR1H2 (0.41) NR1H2DRD2ESR2NPC1
SCHEMBL30983738 0.67 ESR2 (0.43) NR1H2ESR2PRMT5WDR77NPC1
SCHEMBL30983726 0.67 ESR2 (0.43) NR1H2ESR2PRMT5WDR77NPC1

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B MTNR1A 72/4885MTNR1B 56/4885MAOA 187/4885

“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.