SCHEMBL9113876

SCHEMBL9113876

C[C@@H](COc1ccc(-c2nc3ccc(OCC4CC4)cn3n2)nc1)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.45
ACACB O00763 8/20 0.43
RIPK1 Q13546 2/20 0.39
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38
GPR119 Q8TDV5 1/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL9112982 0.92 ACACB (0.43) ACACAACACBRIPK1CYP4F2CYP4A11
SCHEMBL9112116 0.92 ACACB (0.51) ACACAACACBRIPK1CYP4F2CYP4A11
SCHEMBL9110449 0.85 CYP4F2 (0.38) RIPK1CYP4F2CYP4A11GPR119
SCHEMBL9113408 0.81 ACACB (0.48) ACACAACACB
SCHEMBL9110566 0.80 ACACB (0.53) ACACAACACB
SCHEMBL9114222 0.75 ACACB (0.60) ACACAACACB
SCHEMBL9110377 0.73 ACACA (0.45) ACACAACACBPARP15PARP10
SCHEMBL9111699 0.72 ACACA (0.49) ACACAACACB
SCHEMBL9113125 0.72 ACACA (0.45) ACACAACACBPARP15PARP10
SCHEMBL9113151 0.69 ACACB (0.48) ACACAACACB

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
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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 (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 ACACA 1/4885ACACB 2/4885RIPK1 2673/4885

“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.