SCHEMBL5833692

SCHEMBL5833692

COc1cc(-c2cn3c(n2)CCCC3)ccc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 14/20 0.53
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL24264985 0.81 WDR5 (0.63) WDR5LMNANPC1RAB9AGAA
Hydrochloric Acid SCHEMBL30309713 0.81 ALDH1A1 (0.63) WDR5LMNANPC1RAB9AGAA
SCHEMBL5833790 0.79 KMT2A (0.52) LMNANPC1RAB9AGAAKMT2A
SCHEMBL10750669 0.78 WDR5 (0.53) WDR5LMNANPC1RAB9AGAA
SCHEMBL10749506 0.77 WDR5 (0.60) WDR5LMNANPC1RAB9AGAA
SCHEMBL10748933 0.75 WDR5 (0.51) WDR5LMNANPC1RAB9AGAA
SCHEMBL5313033 0.73 RAB9A (0.68) LMNANPC1RAB9AGAAKMT2A
SCHEMBL10749623 0.73 WDR5 (0.46) WDR5LMNANPC1RAB9AGAA
SCHEMBL10747230 0.73 WDR5 (0.46) WDR5LMNANPC1RAB9AGAA
SCHEMBL14668861 0.73 ERN1 (0.48) LMNANPC1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105533-B2 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK & CO., INC. (US) 2006-09-12 US disclosed
US-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
WO-2004024074-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO., INC. (US) 2004-03-25 WO 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-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators GRM5, GRIK5, GRM1 WDR5 688/4885LMNA 4815/4885NPC1 2493/4885

“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.