SCHEMBL4590062

SCHEMBL4590062

COCCN(C)C(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.42
CYP1A2 P05177 6/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
TOP1 P11387 1/20 0.40
HDAC1 Q13547 1/20 0.40
ACKR3 P25106 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
P2RY12 Q9H244 3/20 0.38
PDE2A O00408 2/20 0.38
DGAT1 O75907 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL2324753 0.93 PDE10A (0.44) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL2329922 0.89 PDE3B (0.46) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL4589280 0.87 SIRT2 (0.47) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL2324735 0.84 PDE3B (0.51) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL2328370 0.84 PDE3B (0.51) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL4588630 0.84 PDE3B (0.51) PDE10ACYP1A2SIRT2SIRT1PDE3B
SCHEMBL2326329 0.84 PDE10A (0.47) PDE10ACYP1A2SIRT2SIRT1HDAC1
SCHEMBL2360007 0.84 SIRT2 (0.41) PDE10ACYP1A2SIRT2SIRT1TOP1
SCHEMBL2323904 0.84 PPARA (0.48) PDE10ACYP1A2PDE3BPDE3ATOP1
SCHEMBL2323182 0.84 PPARA (0.48) PDE10ACYP1A2PDE3BPDE3ATOP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 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 (3 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 PDE10A 1678/4885CYP1A2 13/4885SIRT2 1457/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE10A 1501/4885CYP1A2 52/4885SIRT2 739/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE10A 1501/4885CYP1A2 52/4885SIRT2 739/4885

“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.