SCHEMBL9112759

SCHEMBL9112759

COCOc1ccc(CC(=O)N(C)OC)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
FYN P06241 1/20 0.33
ALOX5 P09917 1/20 0.33
FFAR1 O14842 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9111182 0.83 PARP10 (0.42)
SCHEMBL9112240 0.82 CYP3A4 (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL27634750 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4EBACE1MEN1
SCHEMBL9112033 0.80 AKR1C3 (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL9110393 0.79 KMT2A (0.37) ALDH1A1KDM4EBACE1MEN1KMT2A
SCHEMBL16929973 0.78 KDM4E (0.41) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL22145309 0.78 PYCR1 (0.43) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL9113028 0.76 NPC1 (0.40) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL24503112 0.75 FYN (0.39) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL13032640 0.74 TAAR1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 EP disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 MAPT 3737/4885NPC1 262/4885RAB9A 3725/4885

“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.