SCHEMBL1482243

SCHEMBL1482243

COC(=O)C1CCC(Cn2c(-c3ccc(Cl)cc3OC)nc3cc(F)c(F)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.47
PTGER4 P35408 2/20 0.40
CRHR1 P34998 4/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CNR1 P21554 2/20 0.38
ALOX5 P09917 1/20 0.37
KCNH2 Q12809 1/20 0.37
PADI4 Q9UM07 1/20 0.37
VDR P11473 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
SCHEMBL1482719 0.91 NR1H4 (0.48) NR1H4PTGER4P2RX3P2RX2ALOX5
SCHEMBL1482647 0.90 NR1H4 (0.48) NR1H4PTGER4CNR1ALOX5KCNH2
SCHEMBL1482186 0.89 NR1H4 (0.49) NR1H4CNR1ALOX5KCNH2VDR
SCHEMBL1482722 0.87 NR1H4 (0.49) NR1H4PTGER4CRHR1GRIN1GRIN2B
SCHEMBL1482662 0.86 NR1H4 (0.51) NR1H4CRHR1GRIN1GRIN2BALOX5
SCHEMBL1482505 0.84 ALOX5 (0.44) NR1H4CRHR1P2RX3ALOX5
SCHEMBL1482457 0.80 NR1H4 (0.48) NR1H4PTGER4ALOX5KCNH2VDR
SCHEMBL1482035 0.80 NR1H4 (0.49) NR1H4PTGER4ALOX5KCNH2VDR
SCHEMBL1482738 0.78 HTR2C (0.42) NR1H4CRHR1GRIN2BALOX5
SCHEMBL1482639 0.77 NR1H4 (0.49) NR1H4P2RX3P2RX2CNR1ALOX5

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 2 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
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 NR1H4 776/4885PTGER4 796/4885CRHR1 3177/4885

“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.