SCHEMBL2868858

SCHEMBL2868858

CCCCOC(=O)NC(CCC(=O)OCCN1CCOCC1)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 2/20 0.51
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ AVPR1B P47901 8/20 0.42
▸ USP9X Q93008 3/20 0.42
▸ USP24 Q9UPU5 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TACR2 P21452 1/20 0.40

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
SCHEMBL2877470 0.89 MMEL1 (0.59) MMEL1EPHX2
SCHEMBL2873143 0.87 MMEL1 (0.57) MMEL1EPHX2
SCHEMBL10267558 0.82 KDM4E (0.44) TSHRKDM4ETP53AVPR1BALDH1A1
SCHEMBL2868857 0.82 AVPR1B (0.48) MMEL1TSHRKDM4ETP53AVPR1B
SCHEMBL2873259 0.79 MMEL1 (0.47) MMEL1EPHX2
SCHEMBL2707583 0.77 MMEL1 (0.47) MMEL1EPHX2
SCHEMBL16975187 0.75 MMEL1 (0.45) MMEL1EPHX2
SCHEMBL15563643 0.75 MME (0.48) MMEL1EPHX2
SCHEMBL15564105 0.74 MMEL1 (0.42) MMEL1EPHX2ALDH1A1
SCHEMBL3706162 0.74 MMEL1 (0.48) MMEL1TSHRKDM4ETP53AVPR1B

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 299/4885TSHR 3209/4885KDM4E 2452/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN MMEL1 299/4885TSHR 3209/4885KDM4E 2452/4885

“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.

Send feedback