SCHEMBL5449273

SCHEMBL5449273

CN1C(C)(C)CNC(=O)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CRBN Q96SW2 1/20 0.34
CTSK P43235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2995460 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ELMNACYP2C19CYP11B1
SCHEMBL15070002 0.75 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL19919573 0.74 SMN1; SMN2 (0.41) SMN1; SMN2CRBN
SCHEMBL5328437 0.74 SMN1; SMN2 (0.42) SMN1; SMN2LMNA
SCHEMBL21042654 0.73 SMN1; SMN2 (0.56) SMN1; SMN2CRBNCTSKKDM4ELMNA
SCHEMBL578932 0.72 GAA (0.35) CRBNCYP2C19TSHR
SCHEMBL248285 0.70
Hydrochloric Acid SCHEMBL11333509 0.70 GAA (0.34) CYP2C19TSHR
Iodide SCHEMBL6292630 0.70 GAA (0.34) CYP2C19TSHR
SCHEMBL9717101 0.70 GAA (0.34) CYP2C19TSHR

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-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US claimed
US-8557927-B2 Comb-shaped graft copolymers and methods of manufacturing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-15 US disclosed
US-20130165592-A1 COMB-SHAPED GRAFT COPOLYMERS AND METHODS OF MANUFACTURING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-06-27 US disclosed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US disclosed
US-4202816-A ENOL-PIPERIDINE METAL COMPLEXES CIBA-GEIGY CORPORATION (US) 1980-05-13 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 (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-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith CRY1, GPX4, CAND1 SMN1; SMN2 1627/4885CRBN 470/4885CTSK 3092/4885

“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.