SCHEMBL3529064

SCHEMBL3529064

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 3/20 0.45
NR3C1 P04150 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KLKB1 P03952 1/20 0.40
MAP4K1 Q92918 1/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
IDH1 O75874 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CFTR P13569 1/20 0.38
EGFR P00533 2/20 0.38
MAPT P10636 1/20 0.38
HDAC2 Q92769 1/20 0.37
CTNNB1 P35222 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
SCHEMBL3525778 0.93 MTNR1A (0.47) HRH4MTNR1AMTNR1BNR3C1SMN1; SMN2
SCHEMBL3526963 0.90 MTNR1A (0.45) HRH4MTNR1AMTNR1BNR3C1SMN1; SMN2
SCHEMBL3525308 0.83 MTNR1A (0.48) HRH4MTNR1AMTNR1BNR3C1SMN1; SMN2
SCHEMBL852679 0.81 BACE1 (0.49) HRH4MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3525255 0.80 EGFR (0.54) HRH4MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL22074027 0.80 MTNR1A (0.68) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3525492 0.79 MTNR1A (0.50) HRH4MTNR1AMTNR1BSMN1; SMN2PLD2
SCHEMBL9108723 0.78 MTNR1A (0.61) HRH4MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL2216550 0.78 S1PR1 (0.46) HRH4MTNR1ANR3C1
SCHEMBL3528754 0.77 MTNR1A (0.45) MTNR1AMTNR1BNR3C1SMN1; SMN2IDH1

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 HRH4 1483/4885MTNR1A 301/4885MTNR1B 164/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG HRH4 813/4885MTNR1A 22/4885MTNR1B 25/4885

“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.