SCHEMBL3494495

SCHEMBL3494495

Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)CC(=O)c1ncccc1O2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.51
EPHX2 P34913 1/20 0.51
ACACA Q13085 3/20 0.41
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL3492059 0.86 EPHX2 (0.48) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL13636506 0.84 ACACB (0.46) ACACB
SCHEMBL3492494 0.83 ACACB (0.49) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL3492574 0.82 ADRA1D (0.48) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL3494314 0.81 ACACB (0.53) ACACBACACA
SCHEMBL13636848 0.81 ACACB (0.46) ACACBEPHX2ACACA
SCHEMBL3493120 0.81 ACACB (0.47) ACACBEPHX2ADRA1DADRA1AADRA1B
SCHEMBL3493925 0.81 ACACB (0.44) ACACB
SCHEMBL3494841 0.80 HDAC3 (0.50) ACACB
SCHEMBL3493540 0.78 HDAC3 (0.51) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ACACB 5/4885EPHX2 2750/4885ACACA 1/4885

“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.