SCHEMBL2834834

SCHEMBL2834834

c1ccc(Oc2ncc(-c3c[nH]c(C4CCN(CC5CC5)CC4)n3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
OPRM1 P35372 2/20 0.39
TNK2 Q07912 1/20 0.37
HPGDS O60760 4/20 0.37
OPRL1 P41146 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRK1 P41145 1/20 0.36
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2843000 0.88 HPGDS (0.48) OPRM1HPGDSNPC1RAB9A
SCHEMBL2837432 0.86 HPGDS (0.42) OPRM1HPGDSHRH3EGFRBTK
SCHEMBL2315873 0.85 HPGDS (0.49) OPRM1HPGDSOPRL1OPRK1
SCHEMBL2836908 0.83 KDM2B (0.47) OPRM1HPGDSOPRL1OPRK1
SCHEMBL2842366 0.81 HPGDS (0.44) HPGDSEGFRBTKSMN1; SMN2
SCHEMBL2838148 0.79 BTK (0.44) HPGDSEGFRBTK
SCHEMBL2318597 0.79 RIPK1 (0.38) OPRM1HPGDSEGFRBTKMEN1
SCHEMBL2840232 0.77 HPGDS (0.37) HPGDSEGFRBTKMEN1NPC1
SCHEMBL2838179 0.77 HPGDS (0.40) OPRM1HPGDSOPRL1OPRK1
SCHEMBL2842089 0.76 HPGDS (0.47) HPGDSEGFRBTKMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350059-B1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEM CO (US) 2016-03-23 EP disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 US disclosed
US-8536185-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-09-17 US disclosed
US-8450326-B2 2013-05-28 US disclosed
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-03-28 US disclosed
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 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 (3 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-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES MMP2 2652/4885MMP9 1405/4885OPRM1 2095/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES MMP2 2652/4885MMP9 1405/4885OPRM1 2095/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES MMP2 2652/4885MMP9 1405/4885OPRM1 2095/4885

“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.