SCHEMBL4533063

SCHEMBL4533063

OCc1csc(Oc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
STAT3 P40763 1/20 0.37
TSHR P16473 1/20 0.37
TTR P02766 1/20 0.37
AHR P35869 1/20 0.36
MLYCD O95822 1/20 0.35
PDE5A O76074 1/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL16399169 0.83 NPC1 (0.44) LTA4HMAPTNPC1RAB9AALDH1A1
SCHEMBL8830203 0.83 HCRTR1 (0.43) LTA4HGAAMAPTHCRTR1HCRTR2
SCHEMBL11587669 0.82 GAA (0.63) GAAMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16399777 0.80 SHMT2 (0.41) MAPTKCNH2
SCHEMBL18002916 0.78 SMN1; SMN2 (0.43) GAAMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10047917 0.75 SCN9A (0.48) GAAMAPTHCRTR1HCRTR2NPC1
SCHEMBL18975048 0.73 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL9267486 0.73 NPC1 (0.42) LTA4HGAAMAPTHCRTR1HCRTR2
SCHEMBL10919613 0.73 GCK (0.48) LTA4HGAAMAPTHCRTR1HCRTR2
SCHEMBL6122699 0.73 NPC1 (0.42) LTA4HMAPTHCRTR1HCRTR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4501894-A Heterocyclic alcohols and their derivatives ROUSSEL UCLAF (FR) 1985-02-26 US disclosed
US-4450169-A PESTICIDES; NEMATOCIDES; FUNGICIDES; MITICIDES; REPELLANTS ROUSSEL UCLAF (FR) 1984-05-22 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R LTA4H 668/4885GAA 1096/4885MAPT 1636/4885

“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.