SCHEMBL17403320

SCHEMBL17403320

Nc1ccc(CCc2ccc(O)cc2)cc1C(=O)N[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 3/20 0.49
▸ CCKBR P32239 3/20 0.49
▸ ACE P12821 2/20 0.47
▸ ERAP1 Q9NZ08 4/20 0.46
▸ LNPEP Q9UIQ6 4/20 0.46
▸ ERAP2 Q6P179 2/20 0.46
▸ AKR1B1 P15121 2/20 0.45
▸ DHFR P00374 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ MME P08473 1/20 0.43
▸ GPR132 Q9UNW8 1/20 0.43

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
SCHEMBL15989099 0.85 LNPEP (0.47) ERAP1LNPEPERAP2ITGA4ITGB7
SCHEMBL17403319 0.83 LNPEP (0.53) ERAP1LNPEPERAP2DHFRGPR132
SCHEMBL15989120 0.82 GPR132 (0.58) CCKARCCKBRACEERAP1LNPEP
SCHEMBL18653960 0.81 LNPEP (0.43) CCKARLNPEP
SCHEMBL15989164 0.81 DHFR (0.48) CCKARCCKBRACEERAP1LNPEP
SCHEMBL18653995 0.81 DHFR (0.48) CCKARCCKBRACEERAP1LNPEP
SCHEMBL15989075 0.79 LNPEP (0.53) ERAP1LNPEPERAP2DHFRGPR132
SCHEMBL18653875 0.79 LNPEP (0.52) ERAP1LNPEPERAP2GPR132
SCHEMBL15989069 0.79 LNPEP (0.52) ERAP1LNPEPERAP2GPR132
SCHEMBL15989169 0.78 LNPEP (0.54) ERAP1LNPEPERAP2GPR132

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-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 — — US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 — — US disclosed
EP-2958889-B1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2017-03-22 — — EP disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 — — US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 — — 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-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 CCKAR 590/4885CCKBR 564/4885ACE 1483/4885

“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.

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