SCHEMBL1482376

SCHEMBL1482376

COC(=O)c1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
TBXA2R P21731 7/20 0.47
NR1H4 Q96RI1 5/20 0.44
NLRP3 Q96P20 1/20 0.43
CNR1 P21554 1/20 0.41
KCNH2 Q12809 3/20 0.41
PTGER1 P34995 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL1482458 0.92 PTGER1 (0.43) DRD2TBXA2RNR1H4CNR1KCNH2
SCHEMBL1482104 0.91 PTGER1 (0.45) NR1H4KCNH2PTGER1CYP3A4CYP2D6
SCHEMBL1482644 0.90 NR1H4 (0.43) DRD2TBXA2RNR1H4CNR1KCNH2
SCHEMBL1483423 0.89 NR1H4 (0.42) NR1H4CNR1KCNH2PTGER1CYP3A4
SCHEMBL1482749 0.88 P2RX3 (0.43) NR1H4CNR1KCNH2PTGER1P2RX3
SCHEMBL1482082 0.88 NR1H4 (0.51) DRD2TBXA2RNR1H4NLRP3KCNH2
SCHEMBL1482645 0.88 NR1H4 (0.48) TBXA2RNR1H4KCNH2PTGER1
SCHEMBL1482646 0.87 DRD2 (0.53) DRD2TBXA2RNR1H4NLRP3P2RX3
SCHEMBL1482477 0.87 NR1H4 (0.49) DRD2TBXA2RNR1H4NLRP3KCNH2
SCHEMBL1482284 0.86 NR1H4 (0.49) TBXA2RNR1H4KCNH2PTGER1P2RX3

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 DRD2 1464/4885TBXA2R 92/4885NR1H4 776/4885

“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.