SCHEMBL396777

SCHEMBL396777

Clc1cc(C#CCCc2nc3ccccc3o2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40
DRD3 P35462 7/20 0.39
DRD2 P14416 5/20 0.39
DRD1 P21728 2/20 0.39
PDE10A Q9Y233 1/20 0.38
DRD4 P21917 3/20 0.37
FFAR1 O14842 1/20 0.37
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL103987 0.80 NPC1 (0.50) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL103136 0.79 NPC1 (0.55) NPC1MAPTRAB9ALOXL2MEN1
Hydrochloric Acid SCHEMBL103138 0.78 NPC1 (0.54) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL102707 0.76 NPC1 (0.51) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL396981 0.73 RAB9A (0.51) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL102039 0.73 MEN1 (0.50) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL101635 0.73 NPC1 (0.41) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL102462 0.72 RAB9A (0.50) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL103977 0.70 MAPT (0.50) NPC1MAPTRAB9ALOXL2MEN1
SCHEMBL155002 0.69 MAPT (1.00) NPC1MAPTRAB9ALOXL2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885MAPT 630/4885RAB9A 1309/4885

“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.