SCHEMBL1970981

SCHEMBL1970981

CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
THRB P10828 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 3/20 0.47
GPR119 Q8TDV5 4/20 0.46
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HPGD P15428 1/20 0.42

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 0.87 SMN1; SMN2 (0.61) SMN1; SMN2THRBGAAMAPTALDH1A1
SCHEMBL314695 0.83 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL19899477 0.82 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL12069921 0.80 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTALDH1A1
SCHEMBL10189882 0.80 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTALDH1A1
SCHEMBL16197142 0.80 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL25124309 0.79 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTMEN1
SCHEMBL315249 0.79 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTALDH1A1
SCHEMBL1968687 0.79 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL8250610 0.78 SMN1; SMN2 (0.56) SMN1; SMN2THRBGAAMAPTALDH1A1

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
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
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
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.