SCHEMBL1483183

SCHEMBL1483183

COC(=O)CCCCCn1c(-c2ccc(Cl)cc2OCC2CCCC2)nc2cc(F)c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.42
MCHR1 Q99705 1/20 0.39
BACE1 P56817 3/20 0.39
PTGER1 P34995 4/20 0.37
CNR1 P21554 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 3/20 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
SCHEMBL1482761 0.91 NR1H4 (0.41) NR1H4MCHR1BACE1PTGER1CYP3A4
SCHEMBL1483423 0.88 NR1H4 (0.42) NR1H4PTGER1CNR1CYP3A4CYP2D6
SCHEMBL1482332 0.87 DYRK1A (0.39) NR1H4MCHR1BACE1CNR1
SCHEMBL1482644 0.86 NR1H4 (0.43) NR1H4PTGER1CNR1CYP3A4CYP2D6
SCHEMBL1483050 0.84 KDM4E (0.43) NR1H4
SCHEMBL1482749 0.84 P2RX3 (0.43) NR1H4PTGER1CNR1KCNH2
SCHEMBL1482695 0.83 MCHR1 (0.39) NR1H4MCHR1BACE1CNR1
SCHEMBL1482376 0.83 DRD2 (0.47) NR1H4PTGER1CNR1CYP3A4CYP2D6
SCHEMBL1482647 0.82 NR1H4 (0.48) NR1H4PTGER1CNR1CYP3A4CYP2D6
SCHEMBL1482186 0.81 NR1H4 (0.49) NR1H4PTGER1CNR1CYP3A4CYP2D6

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 776/4885MCHR1 2753/4885BACE1 3706/4885

“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.