SCHEMBL13619990

SCHEMBL13619990

CCCCNC(=O)NCc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.41
CCR3 P51677 1/20 0.40
TLR2 O60603 3/20 0.39
TLR1 Q15399 3/20 0.39
BACE1 P56817 2/20 0.38
FKBP1A P62942 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL8988142 0.89 KDM1A (0.41) KEAP1NFE2L2CNR1CNR2EPHX2
SCHEMBL9055318 0.88 MCHR1 (0.42) EPHX2FKBP1A
SCHEMBL1411686 0.86 EPHX1 (0.48) EPHX2CCR3ALDH1A1NPC1RAB9A
SCHEMBL11995852 0.86 EPHX1 (0.48) EPHX2CCR3ALDH1A1NPC1RAB9A
SCHEMBL13619992 0.84 EPHX1 (0.42) KEAP1NFE2L2CNR2EPHX2
SCHEMBL2395587 0.84 SMN1; SMN2 (0.47) TLR2TLR1ALDH1A1NPC1LMNA
SCHEMBL2392413 0.83 EPHX1 (0.53) EPHX2CCR3ALDH1A1NPC1RAB9A
SCHEMBL2391511 0.82 EPHX1 (0.55) EPHX2ALDH1A1NPC1RAB9A
SCHEMBL8987934 0.81 EPHX2 (0.42) CNR1EPHX2CCR3ALDH1A1LMNA
SCHEMBL2393290 0.81 NAAA (0.51) TLR2TLR1SMN1; SMN2L3MBTL1

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 KEAP1 1257/4885NFE2L2 844/4885CNR1 48/4885

“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.