SCHEMBL4536002

SCHEMBL4536002

BrCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
MPO P05164 1/20 0.45
OPRM1 P35372 6/20 0.45
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
ACACB O00763 3/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
LOX P28300 1/20 0.41
BCAT2 O15382 1/20 0.41
HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL28804944 0.86 ACACB (0.44) LTA4HMPOOPRM1OPRD1OPRK1
SCHEMBL23361429 0.83 KDM4E (0.58) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL8026494 0.83 L3MBTL1 (0.44) LTA4HALDH1A1HTTHAO1
SCHEMBL8023066 0.83 RAB9A (0.44) ALDH1A1HTTHAO1
SCHEMBL12844619 0.82 GRN (0.47) LTA4HMPOOPRM1OPRD1OPRK1
SCHEMBL18291628 0.82 LTA4H (0.45) LTA4HMPOOPRM1OPRD1OPRK1
SCHEMBL6160873 0.82 LOXL2 (0.58) LTA4HMPOOPRM1OPRD1OPRK1
SCHEMBL510046 0.82 LTA4H (0.58) LTA4HMPOOPRM1OPRD1OPRK1
SCHEMBL510446 0.82 LTA4H (0.45) LTA4HMPOOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5010402 0.81 LOXL2 (0.59) LTA4HMPOOPRM1OPRD1OPRK1

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
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

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 668/4885MPO 1390/4885OPRM1 58/4885

“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.