SCHEMBL20354562

SCHEMBL20354562

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(N)cn1)C2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.64
RET P07949 3/20 0.50
GPR119 Q8TDV5 4/20 0.48
HSD11B1 P28845 1/20 0.46
JAK1 P23458 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PREP P48147 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL29356365 1.00 HDAC1 (0.64) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL20468896 0.87 HDAC1 (0.60) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL5041626 0.86 HDAC1 (0.59) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL22909889 0.86 HDAC1 (0.59) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL21262007 0.86 HDAC1 (0.59) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL24428346 0.86 HDAC1 (0.59) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL20456823 0.86 HDAC1 (0.62) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL29600378 0.86 HDAC1 (0.59) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL20071342 0.84 HDAC1 (0.57) HDAC1RETGPR119HSD11B1JAK1
SCHEMBL25310645 0.84 HDAC1 (0.57) HDAC1RETGPR119HSD11B1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
WO-2018124001-A1 BMP-SIGNAL-INHIBITING COMPOUND 国立研究開発法人理化学研究所 2018-07-05 WO 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 HDAC1 718/4885RET 1123/4885GPR119 1381/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 HDAC1 858/4885RET 1917/4885GPR119 1267/4885

“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.