SCHEMBL4630581

SCHEMBL4630581

Cc1cc(C#Cc2cn(-c3ccc(Cl)cc3)c(C)n2)ccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.78
KCNH2 Q12809 2/20 0.39
FFAR1 O14842 1/20 0.36
ADRB3 P13945 1/20 0.35
TSPO P30536 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PTGS2 P35354 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL2174588 0.90 GRM5 (0.63) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630909 0.90 GRM5 (0.81) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4631058 0.88 GRM5 (0.71) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630148 0.88 GRM5 (1.00) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630888 0.87 GRM5 (0.73) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630595 0.87 GRM5 (0.69) GRM5KCNH2FFAR1ADRB3TSPO
Hydrochloric Acid SCHEMBL4629671 0.87 GRM5 (0.69) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630084 0.86 GRM5 (1.00) GRM5KCNH2FFAR1GABRPGABRD
SCHEMBL4630172 0.86 GRM5 (0.67) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4630732 0.85 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 GRM5 10/4885KCNH2 393/4885FFAR1 817/4885

“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.