SCHEMBL4810786

SCHEMBL4810786

N=C(N)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 5/20 0.39
F2 P00734 4/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
SMYD3 Q9H7B4 15/20 0.38
F10 P00742 1/20 0.36

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
SCHEMBL4810782 1.00 ST14 (0.39) ST14F2PRSS1PRSS2PRSS3
SCHEMBL20075958 0.89 NOS2 (0.38)
SCHEMBL1588520 0.89
Acetic Acid SCHEMBL3959957 0.88 SMYD3 (0.43) ST14F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL1763976 0.88 SMYD3 (0.43) ST14F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL1764210 0.88 SMYD3 (0.43) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL4900719 0.87
SCHEMBL26044923 0.86 F2 (0.31) ST14F2PRSS1PRSS2PRSS3
SCHEMBL13998889 0.80 EPHX2 (0.52) ST14F2
SCHEMBL10310178 0.80 EPHX2 (0.52) ST14F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7347984-B2 Mammalian agmatinase inhibitory substance JACKSON STATE UNIVERSITY (US) 2008-03-25 US disclosed
US-20050220707-A1 Mammalian agmatinase inhibitory substance JACKSON STATE UNIVERSITY 2005-10-06 US 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-20050220707-A1 Mammalian agmatinase inhibitory substance ENGASE, DNPEP, GPI ST14 421/4885F2 2963/4885PRSS1 91/4885

“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.