SCHEMBL12435353

SCHEMBL12435353

CC1=C(N)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.42
ADORA1 P30542 2/20 0.42
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAP4K4 O95819 1/20 0.38
HDAC1 Q13547 1/20 0.37
HPGD P15428 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL13801225 0.87 USP2 (0.50) NR1H2USP2SMN1; SMN2ESR2MAPK1
SCHEMBL13048672 0.82 ESR2 (0.46) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL16224510 0.79 USP2 (0.43) NR1H2USP2SMN1; SMN2ESR2MAPK1
SCHEMBL25539482 0.78 ADORA1 (0.42) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL12435367 0.77 USP2 (0.42) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL14719429 0.77 USP2 (0.42) NR1H2USP2SMN1; SMN2ESR2MAPK1
SCHEMBL2493397 0.77 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL25343515 0.77 ADORA1 (0.51) NR1H2USP2SMN1; SMN2ESR2ADORA1
SCHEMBL2292608 0.77 USP2 (0.52) NR1H2USP2SMN1; SMN2ESR2MAPK1
SCHEMBL22056057 0.76 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2ADORA1

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US 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 (2 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 NR1H2 1044/4885USP2 4051/4885SMN1; SMN2 1248/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT NR1H2 748/4885USP2 4041/4885SMN1; SMN2 1425/4885

“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.