SCHEMBL1482995

SCHEMBL1482995

N#Cc1ccc(Cn2c(-c3ccccc3OCC3CCCC3)nc3cc(F)c(F)cc32)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 2/20 0.35
SLC6A9 P48067 1/20 0.35
GLP1R P43220 5/20 0.35
DCPS Q96C86 2/20 0.35
CYP2D6 P10635 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GPR6 P46095 2/20 0.34
KDM1A O60341 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2C8 P10632 1/20 0.34

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
SCHEMBL1483043 0.89 NR1H4 (0.37) CYP11B1CYP11B2NPSR1SLC6A9GLP1R
SCHEMBL1482217 0.88 NR1H4 (0.38) CYP11B1CYP11B2SLC6A9GLP1RCYP2D6
SCHEMBL1482427 0.87 NR1H4 (0.36) CYP11B1CYP11B2NPSR1PDE10ASLC6A9
SCHEMBL1483027 0.86 PDE10A (0.39) PDE10AGLP1RHTR1ACYP2C8KCNH2
SCHEMBL1482864 0.85 CYP11B1 (0.36) CYP11B1CYP11B2NPSR1PDE10ASLC6A9
SCHEMBL1482832 0.85 KDM4E (0.52) CYP11B1CYP11B2KDM4ELMNAHTT
SCHEMBL1482742 0.83 NPSR1 (0.43) KDM4ELMNAHTTNPSR1CYP2D6
SCHEMBL1482365 0.82 GLP1R (0.37) CYP11B1CYP11B2PDE10AGLP1RKDM1A
SCHEMBL1482785 0.81 KCNN4 (0.38) KCNN4CYP11B1CYP11B2KDM4ELMNA
SCHEMBL1482770 0.80 KCNH2 (0.41) CYP11B1CYP11B2KDM1AKCNH2

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 KCNN4 1390/4885CYP11B1 190/4885CYP11B2 211/4885

“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.