SCHEMBL13619992

SCHEMBL13619992

CCNC(=O)NCCCCc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
OPRD1 P41143 1/20 0.39
MCHR1 Q99705 1/20 0.39
EPHX2 P34913 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL9055318 0.91 MCHR1 (0.42) EPHX1MCHR1EPHX2
SCHEMBL8987934 0.87 EPHX2 (0.42) EPHX1MCHR1EPHX2KMT2AMEN1
SCHEMBL8988142 0.86 KDM1A (0.41) EPHX1MTNR1AKEAP1NFE2L2OPRD1
SCHEMBL13619990 0.84 KEAP1 (0.42) KEAP1NFE2L2EPHX2CNR2
SCHEMBL1411780 0.81 KDM1A (0.41) EPHX1MCHR1EPHX2KDM1AMAOB
SCHEMBL2392026 0.81 RIPK1 (0.39) KMT2AMEN1KDM1AMAOB
SCHEMBL2392413 0.80 EPHX1 (0.53) EPHX1MCHR1EPHX2KMT2A
SCHEMBL2391511 0.80 EPHX1 (0.55) EPHX1MCHR1EPHX2KMT2A
SCHEMBL1411686 0.79 EPHX1 (0.48) EPHX1MCHR1EPHX2KMT2AMEN1
SCHEMBL11995852 0.79 EPHX1 (0.48) EPHX1MCHR1EPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 US disclosed
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS GOT1, GOT2, NDUFA7 EPHX1 1203/4885MTNR1A 109/4885MTNR1B 151/4885

“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.