SCHEMBL3065535

SCHEMBL3065535

[2H]C1([2H])Oc2ccc(OC([2H])([2H])[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3c3ccc(F)cc3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SCN9A Q15858 1/20 0.41
CYP3A4 P08684 4/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GRK2 P25098 2/20 0.41
TACR1 P25103 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
CACNA1F O60840 1/20 0.41
MPO P05164 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL16230593 0.89 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL13799658 0.87 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL4426369 0.86 L3MBTL1 (0.63) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL4424027 0.86 L3MBTL1 (0.63) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL6848654 0.86 L3MBTL1 (0.63) L3MBTL1MEN1KMT2ACYP3A4TP53
Hydrochloric Acid SCHEMBL4434782 0.85 L3MBTL1 (0.62) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL3054659 0.83 MGLL (0.52) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL3074761 0.82 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL16230594 0.81 L3MBTL1 (0.59) L3MBTL1MEN1KMT2ACYP3A4TP53
SCHEMBL4095237 0.81 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ACYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 US disclosed
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-8450492-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-09-02 US disclosed
US-7678914-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2010-03-16 US disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 US disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 EP disclosed
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-07 US disclosed
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 US disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 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 (6 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-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A L3MBTL1 4074/4885MEN1 3930/4885KMT2A 4272/4885
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 L3MBTL1 3835/4885MEN1 1238/4885KMT2A 4096/4885
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 L3MBTL1 3835/4885MEN1 1238/4885KMT2A 4096/4885
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A L3MBTL1 4082/4885MEN1 1670/4885KMT2A 4420/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A L3MBTL1 4082/4885MEN1 1670/4885KMT2A 4420/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A L3MBTL1 4082/4885MEN1 1670/4885KMT2A 4420/4885

“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.