SCHEMBL4663183

SCHEMBL4663183

CN(C)C(=O)c1cc(OCc2ccccc2)c2nc(C3CC3)n(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
BRD4 O60885 1/20 0.46
GLP1R P43220 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SRD5A2 P31213 2/20 0.39
SRD5A1 P18405 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
APP P05067 1/20 0.39
ACACB O00763 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
EGFR P00533 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPM8 Q7Z2W7 1/20 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
SCHEMBL5902002 0.85 MCHR1 (0.47) MCHR1GLP1RNPC1HPGDRAB9A
SCHEMBL4662880 0.85 BRD4 (0.50) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4662927 0.83 BRD4 (0.48) BRD4GLP1RNPC1HPGDRAB9A
SCHEMBL4663172 0.82 BRD4 (0.47) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4664610 0.81 BRD4 (0.47) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4662918 0.80 MCHR1 (0.51) MCHR1NPC1RAB9ASRD5A2SRD5A1
SCHEMBL30501981 0.77 BRD4 (0.48) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5901231 0.76 SLC9A3 (0.35) HSD17B10
SCHEMBL5901229 0.76 SLC9A3 (0.35) HSD17B10
SCHEMBL4666497 0.75 BRD4 (0.47) BRD4NPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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 (2 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR MCHR1 2115/4885BRD4 85/4885GLP1R 55/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI MCHR1 3175/4885BRD4 1068/4885GLP1R 39/4885

“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.