SCHEMBL6840704

SCHEMBL6840704

CCCCCOC(=O)C(N)CCCCN

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
NOD1 Q9Y239 3/20 0.51
TLR2 O60603 2/20 0.51
GSR P00390 1/20 0.48
DPP7 Q9UHL4 4/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
NAAA Q02083 1/20 0.43
HTR2C P28335 1/20 0.42
CPB2 Q96IY4 1/20 0.41
RRM1 P23921 1/20 0.41
GRIK1 P39086 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK2 Q13002 1/20 0.41
DPP4 P27487 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL367556 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10613585 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10609973 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10612555 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10614116 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10611883 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL5267100 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL7771135 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10611658 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL22956 0.98 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
EP-0162747-B1 LYSINE ESTERS USED AS ABSORPTION ENHANCING AGENTS MERCK & CO. INC. (US) 1988-12-07 EP disclosed
US-4749694-A ENHANCING AGENTS FOR GASTROINTESTINALLY AND RECTALLY ADMINISTEAED DRUGS MERCK & CO., INC. (US) 1988-06-07 US disclosed
EP-0162747-A1 Lysine esters used as absorption enhancing agents MERCK & CO. INC. (US) 1985-11-27 EP 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 GNAI3 769/4885GNAO1 381/4885GNAI1 821/4885
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM GNAI3 4693/4885GNAO1 4321/4885GNAI1 4738/4885

“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.