SCHEMBL3528754

SCHEMBL3528754

COC(=O)CCc1cc2cc(C#N)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 2/20 0.45
NR3C1 P04150 2/20 0.42
PGR P06401 2/20 0.42
NR3C2 P08235 2/20 0.42
DRD2 P14416 6/20 0.42
DRD4 P21917 6/20 0.42
DRD3 P35462 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 1/20 0.41
IDH1 O75874 1/20 0.39
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 2/20 0.38

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
SCHEMBL1420627 0.88 ALOX15 (0.43) MTNR1AMTNR1BNR3C1PGRNR3C2
SCHEMBL7367608 0.87 NR3C1 (0.44) MTNR1AMTNR1BNR3C1PGRNR3C2
SCHEMBL852679 0.81 BACE1 (0.49) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3525255 0.80 EGFR (0.54) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL22074027 0.80 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3525308 0.80 MTNR1A (0.48) MTNR1AMTNR1BNR3C1PGRNR3C2
SCHEMBL3525492 0.79 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL9108723 0.78 MTNR1A (0.61) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL13586686 0.78 MEN1 (0.52) NR3C1PGRNR3C2DRD2DRD4
SCHEMBL5780813 0.77 MTNR1A (0.42) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP MTNR1A 301/4885MTNR1B 164/4885NR3C1 1379/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG MTNR1A 22/4885MTNR1B 25/4885NR3C1 206/4885

“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.