SCHEMBL9113516

SCHEMBL9113516

C[C@H](N)COc1ccc(-n2cc3ccc(OCC4CC4)cc3n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
P2RX7 Q99572 1/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ACACA Q13085 1/20 0.34
F2RL3 Q96RI0 2/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL16612737 0.87 MEN1 (0.39) ACACBPARP10PARP15F2RL3
Hydrochloric Acid SCHEMBL9111977 0.86 MEN1 (0.39) ACACBPARP10PARP15F2RL3
SCHEMBL9112899 0.86 ACACB (0.46) ACACBPARP10PARP15ACACA
SCHEMBL9111177 0.85 ACACB (0.55) ACACBACACA
SCHEMBL9111224 0.85 ACACB (0.47) ACACBP2RX7S1PR1S1PR3ACACA
SCHEMBL22529596 0.76 ACACB (0.42) ACACBPARP10PARP15
SCHEMBL22529599 0.76 ACACB (0.42) ACACBPARP10PARP15
SCHEMBL9111211 0.75 ACACB (0.55) ACACBACACA
SCHEMBL9113816 0.75 ACACB (0.53) ACACBACACA
SCHEMBL9111514 0.74 ACACB (0.53) ACACBACACA

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 ACACB 2/4885P2RX7 4096/4885PARP10 2959/4885

“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.