SCHEMBL1968687

SCHEMBL1968687

CC(C)(C)OC(=O)N1CCC(c2nnc(S(C)(=O)=O)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
THRB P10828 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.51
GPR119 Q8TDV5 13/20 0.46
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16399632 0.86 SMN1; SMN2 (0.61) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL314695 0.82 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL19899477 0.81 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL1970981 0.79 SMN1; SMN2 (0.67) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL12069921 0.79 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL16197142 0.79 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL10189882 0.79 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL30867228 0.79 ALDH1A1 (0.58) GAAMAPT
SCHEMBL22601722 0.79 ALDH1A1 (0.58) GAAMAPT
SCHEMBL25124309 0.78 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B SMN1; SMN2 1248/4885THRB 155/4885GAA 4829/4885

“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.