SCHEMBL6085154

SCHEMBL6085154

O=C(NCCCCc1ccccc1)c1cnc2ccccc2n1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.82
RAB9A P51151 1/20 0.82
CNR1 P21554 1/20 0.59
POLB P06746 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HTR1A P08908 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ASAH1 Q13510 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL7453913 0.91 NPC1 (1.00) NPC1RAB9APOLBHTR1ASMN1; SMN2
SCHEMBL3977199 0.85 NPC1 (0.60) NPC1RAB9APOLBSMN1; SMN2ASAH1
SCHEMBL5020898 0.84 NPC1 (0.65) NPC1RAB9APOLBHDAC3HDAC1
SCHEMBL1768623 0.84 NPC1 (0.69) NPC1RAB9APOLBHDAC3HDAC1
SCHEMBL27832987 0.83 NPC1 (0.64) NPC1RAB9APOLBHDAC3HDAC1
SCHEMBL3986906 0.83 OPRM1 (0.70) NPC1RAB9AHTR1ASMN1; SMN2ALDH1A1
SCHEMBL6083513 0.81 NPC1 (0.81) NPC1RAB9APOLBHTR1ASMN1; SMN2
SCHEMBL16411605 0.80 NPC1 (0.60) NPC1RAB9APOLBHDAC3HDAC1
SCHEMBL6698774 0.79 NPC1 (0.70) NPC1RAB9APOLBHDAC3HDAC1
SCHEMBL2235021 0.79 NPC1 (0.62) NPC1RAB9APOLBHDAC3HDAC1

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
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
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 claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
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
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

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 1751/4885CNR1 91/4885

“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.