SCHEMBL5325495

SCHEMBL5325495

CCC1(C)CC(=O)NC(C)C(C)(CC)N1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL14300463 1.00 KDM4E (0.35) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL2995133 0.84 KDM4E (0.35) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL7071595 0.83 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL13050901 0.75 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL15071287 0.69 SMN1; SMN2 (0.42) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL27391947 0.67 KDM4E (0.36) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL16097822 0.66
SCHEMBL1644359 0.65
SCHEMBL11430241 0.64
SCHEMBL11459912 0.63 KDM4E (0.37) KDM4ELMNACYP2C19TSHRNPSR1

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
WO-2007128672-A1 SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH CIBA HOLDING INC. (CH) 2007-11-15 WO claimed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US claimed
EP-1749032-B1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP CIBA SC HOLDING AG (CH) 2008-02-27 EP disclosed
WO-2007128672-A1 SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 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 KDM4E 876/4885LMNA 2321/4885CYP2C19 1343/4885

“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.