SCHEMBL6573383

SCHEMBL6573383

CN(C)CCCCCCNC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.67
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TDP1 Q9NUW8 1/20 0.56
NAAA Q02083 2/20 0.54
APP P05067 6/20 0.53
MALT1 Q9UDY8 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PTGS1 P23219 1/20 0.47
P2RX1 P51575 2/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
KCNMA1 Q12791 1/20 0.47

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
SCHEMBL10820432 0.95 CDK1 (0.74) CDK1KDM4EALDH1A1TDP1NAAA
SCHEMBL19077958 0.85 NAAA (0.74) CDK1TDP1NAAA
SCHEMBL26096811 0.85 NAAA (0.74) CDK1TDP1NAAA
Trimethylammonium SCHEMBL29036046 0.85 CDK1 (0.64) CDK1KDM4EALDH1A1TDP1NAAA
SCHEMBL11390664 0.83 CDK1 (0.74) CDK1TDP1NAAA
SCHEMBL30481046 0.83 CDK1 (0.58) CDK1KDM4EALDH1A1TDP1NAAA
SCHEMBL12434388 0.83 CDK1 (0.68) CDK1KDM4EALDH1A1TDP1NAAA
SCHEMBL23675381 0.82 CDK1 (0.76) CDK1TDP1NAAAPTGS1P2RX1
SCHEMBL9141821 0.82 CDK1 (0.71) CDK1KDM4EALDH1A1TDP1NAAA
SCHEMBL446310 0.81 CDK1 (0.70) CDK1KDM4EALDH1A1TDP1NAAA

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
EP-1163209-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2004-12-29 EP disclosed
US-6646162-B2 Compounds such as 1-(3-(2-hydroxybenzoylamino)propyl)-2-pyrrolidinone; dosage forms of bioactive agents or drugs EMISPHERE TECHNOLOGIES, INC. 2003-11-11 US disclosed
US-20020040061-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC 2002-04-04 US disclosed
EP-1163209-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2001-12-19 EP disclosed
WO-2000050386-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-08-31 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 (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-20020040061-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 CDK1 2645/4885KDM4E 4605/4885ALDH1A1 2208/4885

“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.