SCHEMBL2659991

SCHEMBL2659991

CC1(C)COB(c2ccc(F)c(-c3cnccn3)c2)OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
NPY5R Q15761 2/20 0.33
PIM1 P11309 1/20 0.33
KCNH2 Q12809 1/20 0.33
SNCA P37840 1/20 0.32
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
CASP6 P55212 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
CYP11B2 P19099 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL6219095 0.84 SNCA (0.34) SNCABACE1
SCHEMBL2651346 0.75 CDC7 (0.38) CYP11B2
SCHEMBL2650596 0.74 LPL (0.43) SNCA
SCHEMBL2658079 0.74 ERN1 (0.42) KCNH2SNCABACE1
SCHEMBL2659261 0.72 CYP11B2 (0.39) NPC1RAB9ANPY5RSNCACYP11B2
SCHEMBL6202734 0.71 GABRA1 (0.40) SNCACYP11B2BACE1BACE2
SCHEMBL3094089 0.70 SNCA (0.43) NPC1RAB9ASNCA
SCHEMBL5892525 0.70 EGFR (0.39) SNCAALDH1A1CYP11B2
SCHEMBL6217350 0.70 CYP2A6 (0.40) NPC1RAB9ANPY5RSNCAKDM4E
SCHEMBL2649094 0.69 BACE1 (0.37) SNCACYP11B2BACE1BACE2

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
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 NPC1 2277/4885RAB9A 2499/4885ALOX5AP 3976/4885

“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.