SCHEMBL15543154

SCHEMBL15543154

O=C1CNC(=O)C(C2CCCCC2)N1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.41
PRSS1 P07477 5/20 0.41
PLAT P00750 4/20 0.41
CTSD P07339 1/20 0.39
MAPT P10636 1/20 0.37
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CCR2 P41597 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL14250711 0.90 F2 (0.33) F2PRSS1PLATCTSD
SCHEMBL31267954 0.90 F2 (0.33) F2PRSS1PLATCTSD
SCHEMBL14250714 0.90 F2 (0.33) F2PRSS1PLATCTSD
SCHEMBL18708199 0.86 F2 (0.34) F2PRSS1PLAT
SCHEMBL9402183 0.71 MAPT (0.44) CTSDMAPT
SCHEMBL7061475 0.71 MAPT (0.44) CTSDMAPT
SCHEMBL16640292 0.71 MAPT (0.44) CTSDMAPT
SCHEMBL7389247 0.71 MAPT (0.35) CTSDMAPT
SCHEMBL4928308 0.71 CA12 (0.39) F2PRSS1PLATCTSD
SCHEMBL30832469 0.68 MAPT (0.32) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
EP-2867221-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2015-05-06 EP disclosed
WO-2014005129-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2014-01-03 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT F2 2645/4885PRSS1 3030/4885PLAT 2659/4885
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT F2 1681/4885PRSS1 2635/4885PLAT 3284/4885

“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.