SCHEMBL1482644

SCHEMBL1482644

COC(=O)Cc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.43
KCNH2 Q12809 3/20 0.41
TBXA2R P21731 2/20 0.39
DRD2 P14416 1/20 0.39
P2RX3 P56373 1/20 0.38
CNR1 P21554 2/20 0.38
PTGER1 P34995 2/20 0.38
CNR2 P34972 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 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

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
SCHEMBL1483423 0.92 NR1H4 (0.42) NR1H4KCNH2P2RX3CNR1PTGER1
SCHEMBL1482749 0.91 P2RX3 (0.43) NR1H4KCNH2P2RX3CNR1PTGER1
SCHEMBL1482645 0.91 NR1H4 (0.48) NR1H4KCNH2TBXA2RPTGER1
SCHEMBL1482376 0.90 DRD2 (0.47) NR1H4KCNH2TBXA2RDRD2P2RX3
SCHEMBL1483050 0.89 KDM4E (0.43) NR1H4TBXA2RDRD2P2RX3SCN7A
SCHEMBL1482639 0.88 NR1H4 (0.49) NR1H4KCNH2P2RX3CNR1PTGER1
SCHEMBL1482104 0.88 PTGER1 (0.45) NR1H4KCNH2PTGER1CYP3A4CYP2D6
SCHEMBL1482801 0.87 TBXA2R (0.44) NR1H4TBXA2RDRD2P2RX3CNR1
SCHEMBL1482284 0.86 NR1H4 (0.49) NR1H4KCNH2TBXA2RP2RX3PTGER1
SCHEMBL1482458 0.86 PTGER1 (0.43) NR1H4KCNH2TBXA2RDRD2P2RX3

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 776/4885KCNH2 839/4885TBXA2R 92/4885

“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.