SCHEMBL6084582

SCHEMBL6084582

O=C(NCCc1ccc(F)c(F)c1)c1cnc2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
HTR1A P08908 4/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6085429 0.85 NPC1 (0.74) NPC1RAB9AHTR1APOLB
SCHEMBL6083513 0.84 NPC1 (0.81) NPC1RAB9AHTR1APOLB
SCHEMBL7453913 0.83 NPC1 (1.00) NPC1RAB9AHTR1APOLB
SCHEMBL6085281 0.82 NPC1 (0.62) NPC1RAB9AHTR1APOLBHDAC3
SCHEMBL6084496 0.81 NPC1 (0.68) NPC1RAB9AHTR1APOLBHDAC3
SCHEMBL6085075 0.80 NPC1 (0.62) NPC1RAB9AHTR1APOLBHDAC3
SCHEMBL6083982 0.79 NPC1 (0.64) NPC1RAB9AHTR1APOLBHDAC3
SCHEMBL16562093 0.79 NPC1 (0.75) NPC1RAB9APKMMEN1KMT2A
SCHEMBL6698774 0.78 NPC1 (0.70) NPC1RAB9AHTR1APOLBHDAC3
SCHEMBL6085154 0.75 NPC1 (0.82) NPC1RAB9AHTR1APOLBHDAC3

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
JP-2003500480-A 2003-01-07 JP claimed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP claimed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO claimed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 NPC1 559/4885RAB9A 1751/4885HTR1A 280/4885

“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.