SCHEMBL9113192

SCHEMBL9113192

c1ccc(COc2ccc(-n3cc4ccc(OCC5CC5)cc4n3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
DGAT1 O75907 1/20 0.42
ALOX5 P09917 1/20 0.40
FFAR1 O14842 3/20 0.40
PPARD Q03181 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KIT P10721 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM4 Q14833 1/20 0.38
MCHR1 Q99705 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL9114079 0.87 CYP3A4 (0.46) CYP3A4ALOX5FFAR1PPARDHRH3
SCHEMBL9112695 0.84 SLC6A2 (0.36) DGAT1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL9111884 0.78 ACACB (0.46)
SCHEMBL9113013 0.76 ACACB (0.53)
SCHEMBL9111214 0.74 MIF (0.46) NPC1RAB9ASLC6A2SLC6A4HTR3A
SCHEMBL27895432 0.72 SLC6A2 (0.39) SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL11247509 0.71 LMNA (0.58) NPC1RAB9ASLC6A2
SCHEMBL5348078 0.70 MAOB (0.60) ALOX5FFAR1PPARDHRH3CYP2D6
SCHEMBL23436508 0.70 C5AR1 (0.49) ALOX5FFAR1PPARDHRH3CYP2D6
SCHEMBL9112226 0.69 KHK (0.44) CYP3A4DGAT1ALOX5FFAR1PPARD

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 7 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
CN-103347872-A Bicyclic compound TAKAEDA CHEMICAL IND LTD 2013-10-09 CN 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 CYP3A4 2234/4885DGAT1 170/4885ALOX5 663/4885

“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.