SCHEMBL839301

SCHEMBL839301

CC(C)CN1C(=O)CNC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
RIN1 Q13671 1/20 0.44
PIK3CD O00329 4/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
PDE7A Q13946 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10702274 0.83 TSHR (0.50) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL29304531 0.83 TSHR (0.46) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL29226918 0.82 GAA (0.50) TSHRLMNAPIK3CDGAAALDH1A1
SCHEMBL8245357 0.80 TSHR (0.43) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL26948645 0.79 TSHR (0.46) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL17574696 0.79 TSHR (0.46) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL19162068 0.76 TSHR (0.43) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL11486641 0.76 TSHR (0.43) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL26902084 0.76 TSHR (0.40) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL8240617 0.75 TSHR (0.42) TSHRGSK3AGSK3BABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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 (5 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A TSHR 2253/4885GSK3A 792/4885GSK3B 1119/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A TSHR 2253/4885GSK3A 792/4885GSK3B 1119/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A TSHR 2253/4885GSK3A 792/4885GSK3B 1119/4885
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 TSHR 313/4885GSK3A 4644/4885GSK3B 4571/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 TSHR 1365/4885GSK3A 2312/4885GSK3B 2104/4885

“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.