SCHEMBL20354567

SCHEMBL20354567

CCC1(NC(C)=O)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 6/20 0.50
CASP6 P55212 1/20 0.50
MAPT P10636 9/20 0.45
GAA P10253 6/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 4/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 3/20 0.40
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
USP2 O75604 3/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 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
SCHEMBL21526589 0.82 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20354566 0.81 GFER (0.54) GFERCASP6MAPTGAAKDM4E
SCHEMBL15298875 0.72 BDKRB2 (0.36) ALDH1A1CYP1A2POLBNPSR1TDP1
SCHEMBL8787168 0.71
SCHEMBL23126615 0.71 CASP6 (0.73) GFERCASP6SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16306647 0.71 KDM4E (0.36) GAAKDM4ESMN1; SMN2ALDH1A1CYP2C19
SCHEMBL21526546 0.70 GFER (0.67) GFERCASP6MAPTGAAKDM4E
SCHEMBL13624223 0.69 MAPT (0.49) GFERCASP6MAPTGAAKDM4E
SCHEMBL13724538 0.69 GFER (0.57) GFERCASP6MAPTGAAKDM4E
SCHEMBL13724583 0.69 MAPT (0.55) GFERCASP6MAPTGAAKDM4E

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
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
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
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP 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 GFER 4662/4885CASP6 555/4885MAPT 4782/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 GFER 4743/4885CASP6 595/4885MAPT 4243/4885

“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.