SCHEMBL15733339

SCHEMBL15733339

O=C(NC1CCCC1)NC1CCNCC1

nearest known ligand 0.96

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.96
EPHX2 P34913 6/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 1/20 0.70
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.50
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL8232157 0.98 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7427277 0.98 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5142091 0.93 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL28171895 0.91 EPHX1 (0.95) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13459981 0.90 EPHX1 (0.78) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19086886 0.88 EPHX1 (0.91) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11877122 0.85 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL23960132 0.83 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308699 0.83 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308701 0.83 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395302-A 1- [ m-carboxamido (hetero) aryl-methyl ] -heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD 2015-03-04 CN disclosed
WO-2014082889-A1 NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX HOFFMANN-LA ROCHE INC. (US) 2014-05-29 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-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 EPHX1 2554/4885EPHX2 2907/4885NPC1 4425/4885

“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.