SCHEMBL4941511

SCHEMBL4941511

O=C1CCCCN1C1CCCCCCC1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
NPY5R Q15761 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL1954285 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10633018 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL868782 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL8031217 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL10427141 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL33526075 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL491780 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL867932 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL6088399 1.00 NOS3 (0.42) NOS3NOS1DPP4DPP8DPP9
SCHEMBL19271810 0.98 NOS3 (0.43) NOS3NOS1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide EURO-CELTIQUE S.A. (US) 2008-09-04 US disclosed
EP-1711484-A4 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO CELTIQUE SA (LU) 2007-06-20 EP disclosed
EP-1711484-A1 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO-CELTIQUE S.A. (LU) 2006-10-18 EP disclosed
WO-2005075459-A1 SYNTHESIS OF CYANOIMINO-BENZOIMIDAZOLES EURO-CELTIQUE S.A. (LU) 2005-08-18 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 (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-20080214827-A1 For severe and chronic pain; 1-(1-Cyclooctyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-ylidene-cyanamide and 2-[2-Cyanoimino-3-(1-cyclooctyl-piperidin-4-yl)-2,3-dihydro-benzoimidazol-1-yl]-acetamide CNR2, CNR1, TRPV1 NOS3 339/4885NOS1 449/4885DPP4 2727/4885

“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.