SCHEMBL1991383

SCHEMBL1991383

O=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1OCc1nn[nH]n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.71
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
GBA1 P04062 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1994430 0.83 PTGDR2 (1.00) PTGDR2RAB9ASMN1; SMN2NPC1GBA1
SCHEMBL1995200 0.79 PTGDR2 (0.76) PTGDR2RAB9ASMN1; SMN2NPC1GBA1
SCHEMBL1993750 0.79 PTGDR2 (1.00) PTGDR2RAB9ASMN1; SMN2NPC1GBA1
SCHEMBL1992754 0.78 PTGDR2 (1.00) PTGDR2
SCHEMBL1994784 0.78 PTGDR2 (1.00) PTGDR2RAB9ASMN1; SMN2NPC1GBA1
SCHEMBL1992548 0.76 PTGDR2 (0.87) PTGDR2RAB9ASMN1; SMN2NPC1GBA1
SCHEMBL1993593 0.75 PTGDR2 (1.00) PTGDR2RAB9ANPC1MAPT
SCHEMBL1994973 0.74 PTGDR2 (0.68) PTGDR2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1994972 0.74 PTGDR2 (0.68) PTGDR2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2000083 0.74 PTGDR2 (0.67) PTGDR2RAB9ANPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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 (2 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 PTGDR2 70/4885RAB9A 2702/4885SMN1; SMN2 4722/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTGDR2 61/4885RAB9A 2089/4885SMN1; SMN2 4801/4885

“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.