SCHEMBL3310012

SCHEMBL3310012

O=C(OCCCCO)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.38
TLR2 O60603 2/20 0.38
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
FAP Q12884 1/20 0.36
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
ELANE P08246 1/20 0.33
ACHE P22303 2/20 0.32

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
SCHEMBL3310014 1.00 PRCP (0.38) PRCPTLR2DPP4DPP7DPP8
SCHEMBL9357035 0.98 PRCP (0.40) PRCPTLR2DPP4DPP7DPP8
SCHEMBL27496954 0.95 PRCP (0.39) PRCPTLR2DPP4DPP7DPP8
SCHEMBL4565393 0.88 NOS2 (0.38) PRCPTLR2DPP4DPP7DPP8
SCHEMBL4565392 0.88 NOS2 (0.38) PRCPTLR2DPP4DPP7DPP8
SCHEMBL28049477 0.88 NOS2 (0.38) PRCPTLR2DPP4DPP7DPP8
SCHEMBL10030565 0.86 NOS2 (0.42) PRCPTLR2DPP4DPP7DPP8
SCHEMBL6065436 0.85 TLR2 (0.37) PRCPTLR2DPP4DPP7DPP8
SCHEMBL629326 0.85 PRCP (0.54) PRCPTLR2DPP7
SCHEMBL629327 0.85 PRCP (0.54) PRCPTLR2DPP7

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-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PRCP 3519/4885TLR2 1320/4885DPP4 2807/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PRCP 3269/4885TLR2 1158/4885DPP4 2992/4885

“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.