SCHEMBL2316909

SCHEMBL2316909

c1ccc(CN2CCC(c3nc(-c4cnc(-c5ccccc5)nc4)c[nH]3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.59
USP30 Q70CQ3 2/20 0.53
DRD2 P14416 8/20 0.45
DRD4 P21917 8/20 0.45
DRD3 P35462 8/20 0.45
HTR2B P41595 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CCR5 P51681 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2833361 1.00 HPGDS (0.59) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2843463 1.00 HPGDS (0.59) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2314286 0.94 HPGDS (0.66) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2835805 0.94 HPGDS (0.68) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2838294 0.94 HPGDS (0.68) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2835807 0.94 HPGDS (0.68) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2837370 0.91 HPGDS (0.52) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2843028 0.86 HPGDS (0.56) HPGDSUSP30DRD2DRD4DRD3
SCHEMBL2840824 0.85 HPGDS (0.44) HPGDSUSP30HTR2B
SCHEMBL2843116 0.85 HPGDS (0.44) HPGDSUSP30HTR2B

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 9 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
EP-2350059-A2 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Cayman Chemical Company (US) 2011-08-03 EP disclosed
WO-2010033977-A2 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 WO 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 HPGDS 1/4885USP30 2571/4885DRD2 1526/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885USP30 2571/4885DRD2 1526/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885USP30 2571/4885DRD2 1526/4885

“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.