SCHEMBL1481990

SCHEMBL1481990

N#Cc1ccc(OCc2ccccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CNR2 P34972 2/20 0.36
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PDE10A Q9Y233 1/20 0.35
GLP1R P43220 4/20 0.34
VDR P11473 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
SCHEMBL1483027 0.90 PDE10A (0.39) HTR2AHTR2CSLC6A4NR1H4PDE10A
SCHEMBL1482854 0.83 NR1H4 (0.42) HTR2AHTR2CSLC6A4NR1H4CYP11B1
SCHEMBL1482050 0.83 NR1H4 (0.44) HTR2AHTR2CSLC6A4NR1H4PDE10A
SCHEMBL1482732 0.83 CNR2 (0.42) NR1H4CYP11B1CYP11B2CNR2NPSR1
SCHEMBL1482276 0.82 NR1H4 (0.43) HTR2AHTR2CSLC6A4NR1H4PDE10A
SCHEMBL1482102 0.81 NR1H4 (0.42) HTR2AHTR2CSLC6A4NR1H4CYP11B2
SCHEMBL1482478 0.79 CNR2 (0.40) NR1H4CYP11B1CYP11B2CNR2NPSR1
SCHEMBL1482189 0.79 NR1H4 (0.42) HTR2AHTR2CSLC6A4NR1H4CNR2
SCHEMBL1482669 0.78 NR1H4 (0.41) HTR2AHTR2CSLC6A4NR1H4CYP11B1
SCHEMBL1482995 0.78 KCNN4 (0.37) CYP11B1CYP11B2NPSR1PDE10AGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 HTR2A 2136/4885HTR2C 1402/4885SLC6A4 2832/4885

“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.