SCHEMBL17091111

SCHEMBL17091111

CC(C)(C)OC(=O)N(F)Cc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.39
GABRA1 P14867 6/20 0.39
GABRG2 P18507 6/20 0.39
GABRB3 P28472 6/20 0.39
GABRA3 P34903 5/20 0.39
GABRA2 P47869 5/20 0.39
GABRA6 Q16445 4/20 0.39
GABRA4 P48169 5/20 0.36
GABRB2 P47870 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PTPN11 Q06124 1/20 0.33
PTGES O14684 1/20 0.32
SSTR4 P31391 1/20 0.32
ACACB O00763 1/20 0.32
GRM2 Q14416 1/20 0.32
NR1D1 P20393 1/20 0.32
KCNQ4 P56696 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
SCHEMBL26932077 0.85 GABRA5 (0.39) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL26932034 0.81 GABRA5 (0.38) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL3011102 0.81 NR1H4 (0.41) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21996265 0.78 PPARG (0.41) HDAC3HDAC1HDAC2NCOR2SSTR4
SCHEMBL24621110 0.77 GABRA5 (0.43) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2138873 0.76 GABRA1 (0.42) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL24061763 0.74 L3MBTL1 (0.50) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4404331 0.73 SMN1; SMN2 (0.38) ACACB
SCHEMBL15688014 0.72 PTGES (0.53) HDAC3HDAC1HDAC2NCOR2PTGES
SCHEMBL9805558 0.72 GABRA1 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
EP-3144308-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-06-24 EP disclosed
US-10208046-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-19 US disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20170081332-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-23 US disclosed
EP-3144308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-03-22 EP disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 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 (3 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-10208046-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 GABRA5 228/4885GABRA1 300/4885GABRG2 852/4885
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 GABRA5 531/4885GABRA1 438/4885GABRG2 919/4885
US-20170081332-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 GABRA5 228/4885GABRA1 300/4885GABRG2 852/4885

“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.