SCHEMBL2877464

SCHEMBL2877464

CCCCOC(=O)NC(CCc1ccc(-c2cccc(Cl)c2)cc1)C(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 2/20 0.54
▸ CTSK P43235 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ MME P08473 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ GPR34 Q9UPC5 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
SCHEMBL2873142 0.98 MMEL1 (0.52) MMEL1CTSKFAAHEPHX2ADRB1
SCHEMBL2873212 0.92 MMEL1 (0.49) MMEL1CTSKFAAHEPHX2ADRB1
SCHEMBL2868857 0.89 AVPR1B (0.48) MMEL1
SCHEMBL2873255 0.86 MMEL1 (0.44) MMEL1CTSKFAAHEPHX2ADRB1
SCHEMBL15563642 0.84 MMEL1 (0.49) MMEL1CTSKADRB1ADRB3MMP2
SCHEMBL15564104 0.83 MMEL1 (0.46) MMEL1CTSKADRB1ADRB3MMP2
SCHEMBL6684832 0.79 TGM2 (0.49) CTSKMMP2MMP3ITGB3
SCHEMBL15285491 0.78 MMEL1 (0.52) MMEL1FAAHEPHX2GPR34
SCHEMBL2707583 0.78 MMEL1 (0.47) MMEL1EPHX2MME
SCHEMBL2877470 0.78 MMEL1 (0.59) MMEL1FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 — — US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 — — US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 — — 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 (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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN MMEL1 299/4885CTSK 1421/4885FAAH 499/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885CTSK 1421/4885FAAH 499/4885

“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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