SCHEMBL2653145

SCHEMBL2653145

N#Cc1cc(F)ccc1-c1nc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.41
CNR2 P34972 6/20 0.41
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
USP47 Q96K76 1/20 0.39
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
KHK P50053 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2650461 0.88 CYP11B2 (0.40) CNR1CNR2USP8USP7USP47
SCHEMBL21116203 0.74 USP8 (0.42) USP8USP7USP47GABRA1GABRG2
SCHEMBL2652445 0.74 CYP11B2 (0.40) CNR2USP8USP7USP47GABRA1
SCHEMBL25992009 0.72 ADORA1 (0.44) CNR1CNR2USP8USP7USP47
SCHEMBL2654322 0.72 CYP11B2 (0.39) CNR1CNR2USP8USP7USP47
SCHEMBL21283227 0.71 MEN1 (0.46) CNR1CNR2CYP11B2ADORA2AADORA1
SCHEMBL2653585 0.71 GABRA1 (0.47) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL74807 0.70 TRPV4 (0.46) CNR2CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL9849412 0.70 ADORA1 (0.49) CNR1CNR2GABRG2GABRB3GABRA5
SCHEMBL24084181 0.69 AR (0.39) CNR1CNR2USP8USP7USP47

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-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US disclosed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-03-09 US disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CNR1 83/4885CNR2 88/4885USP8 1509/4885

“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.