SCHEMBL4195259

SCHEMBL4195259

C(#Cc1ccc2ccccc2n1)CCc1ccccc1.C(#Cc1ncccn1)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.51
KCNH2 Q12809 2/20 0.51
PDE10A Q9Y233 1/20 0.38
TTR P02766 1/20 0.36
EGFR P00533 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP3A4 P08684 1/20 0.35
GLO1 Q04760 2/20 0.35
ALDH1A1 P00352 1/20 0.34
AKR1B1 P15121 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL102395 0.90 GRM5 (0.59) GRM5KCNH2PDE10ATTREGFR
SCHEMBL102791 0.83 GRM5 (0.50) GRM5KCNH2EGFRSMN1; SMN2FFAR1
SCHEMBL15877612 0.78 GRM5 (0.74) GRM5KCNH2PDE10ATTRNPC1
SCHEMBL5260817 0.74 GRM5 (0.59) GRM5KCNH2PDE10AEGFRFFAR1
SCHEMBL10461858 0.72 GRM5 (0.51) GRM5KCNH2PDE10ATTRNPC1
SCHEMBL22397966 0.71 LTA4H (0.50) KCNH2RAB9ASMN1; SMN2FFAR1FFAR4
SCHEMBL102735 0.71 GRM5 (0.59) GRM5KCNH2PDE10ANPC1RAB9A
SCHEMBL102806 0.71 GRM5 (0.56) GRM5EGFRRAB9ASMN1; SMN2FFAR1
SCHEMBL12603938 0.70 GRM5 (0.49) GRM5KCNH2PDE10ATTRCYP3A4
SCHEMBL12970264 0.69 GRM5 (0.47) GRM5KCNH2PDE10ATTRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed

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 GRM5 1/4885KCNH2 724/4885PDE10A 2311/4885

“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.