SCHEMBL1482647

SCHEMBL1482647

COC(=O)C1CCC(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.48
ALOX5 P09917 2/20 0.40
VDR P11473 2/20 0.40
PTGER1 P34995 2/20 0.38
CNR1 P21554 1/20 0.38
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
SCN9A Q15858 3/20 0.37
PTGER4 P35408 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
SCHEMBL1482186 0.99 NR1H4 (0.49) NR1H4ALOX5VDRPTGER1CNR1
SCHEMBL1482457 0.91 NR1H4 (0.48) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482035 0.90 NR1H4 (0.49) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482243 0.90 NR1H4 (0.47) NR1H4ALOX5VDRCNR1KCNH2
SCHEMBL1483132 0.89 NR1H4 (0.49) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482100 0.88 NR1H4 (0.50) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482697 0.88 NR1H4 (0.50) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482719 0.87 NR1H4 (0.48) NR1H4ALOX5VDRKCNH2CYP3A4
SCHEMBL1482721 0.85 NR1H4 (0.45) NR1H4ALOX5VDRPTGER1KCNH2
SCHEMBL1482668 0.84 NR1H4 (0.46) NR1H4ALOX5VDRPTGER1KCNH2

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 776/4885ALOX5 3919/4885VDR 1436/4885

“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.