SCHEMBL136708

SCHEMBL136708

CCOC(C#Cc1cccc(C)c1)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.44
FFAR1 O14842 5/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
FFAR4 Q5NUL3 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL136322 0.82 KCNH2 (0.45) GRM5FFAR1CYP3A4
SCHEMBL3901448 0.80 APP (0.42) CYP1A2CYP3A4CHRNB2CHRNA4
SCHEMBL30469478 0.73 GRM5 (0.69) GRM5FFAR1FFAR4HTTSMN1; SMN2
SCHEMBL4562089 0.73 GRM5 (0.69) GRM5FFAR1FFAR4HTTSMN1; SMN2
SCHEMBL30469481 0.73 GRM5 (0.69) GRM5FFAR1FFAR4HTTSMN1; SMN2
SCHEMBL8217128 0.72 GRM5 (0.49) GRM5FFAR1FFAR4ACHE
SCHEMBL8993127 0.71 GRM5 (0.52) GRM5FFAR1CYP1A2CYP3A4FFAR4
SCHEMBL28472086 0.70 GRM5 (0.47) GRM5FFAR1FFAR4ACHE
SCHEMBL5578049 0.70 CYP1A2 (0.35) GRM5FFAR1CYP1A2
SCHEMBL6787301 0.70 PTGS2 (0.43) CYP3A4ACHE

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-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 GRM5 1/4885FFAR1 425/4885CYP1A2 3174/4885

“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.