SCHEMBL645595

SCHEMBL645595

NC1CCCN2CCCC(C(=O)O)N2C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.44
MME P08473 2/20 0.44
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
DPP4 P27487 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL8318471 1.00 ACE (0.44) ACEMMECYP3A4TSHRTDP1
SCHEMBL6529721 1.00 ACE (0.44) ACEMMECYP3A4TSHRTDP1
SCHEMBL7349193 1.00 ACE (0.44) ACEMMECYP3A4TSHRTDP1
SCHEMBL7344670 0.95 ACE (0.46) ACEMMECYP3A4TSHRTDP1
SCHEMBL7344675 0.95 ACE (0.46) ACEMMECYP3A4TSHRTDP1
SCHEMBL10565289 0.89 ACE (0.43) ACEMMECYP3A4TSHRTDP1
SCHEMBL22175774 0.79 ACE (0.46) ACEMMEMAPT
SCHEMBL10736571 0.79 ACE (0.46) ACEMMEALDH1A1SMN1; SMN2
SCHEMBL7088511 0.78 ACE (0.56) ACEMMECYP3A4TSHRTDP1
SCHEMBL645674 0.78 ACE (0.56) ACEMMECYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 US disclosed
US-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 US disclosed
US-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS UNIVERSITE DE MONTPELLIER I (FR) 2012-07-19 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 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 (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-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS DNPEP, IAPP, VIP ACE 167/4885MME 28/4885CYP3A4 4705/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885CYP3A4 2587/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 20/4885MME 314/4885CYP3A4 2466/4885

“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.