SCHEMBL14870611

SCHEMBL14870611

CC(=O)C[C@H](N)Cc1ccc(-c2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.53
▸ MME P08473 3/20 0.51
▸ MMEL1 Q495T6 1/20 0.51
▸ FFAR1 O14842 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ ESR2 Q92731 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TPH1 P17752 2/20 0.43
▸ TPH2 Q8IWU9 2/20 0.43
▸ GPR34 Q9UPC5 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ SRC P12931 1/20 0.40
▸ HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL2875302 0.86 MME (0.60) TAAR1MMEMMEL1FFAR1ACE
SCHEMBL14870714 0.84 SRR (0.51) MMEFFAR1ACECYP3A4TPH1
SCHEMBL10197790 0.84 TAAR1 (0.53) TAAR1MMEMMEL1FFAR1ACE
SCHEMBL12974571 0.84 MME (0.52) TAAR1MMEMMEL1FFAR1ACE
SCHEMBL18683352 0.81 DPP4 (0.52) TPH1DPP4DPP7
SCHEMBL14959390 0.78 TAAR1 (0.55) TAAR1MMEMMEL1FFAR1ACE
SCHEMBL11969672 0.77 MME (0.69) TAAR1MMEMMEL1ACETPH1
SCHEMBL18800933 0.77 MME (0.69) TAAR1MMEMMEL1ACETPH1
SCHEMBL7348908 0.76 TAAR1 (0.53) TAAR1MMEMMEL1FFAR1ACE
SCHEMBL27537385 0.76 TAAR1 (0.53) TAAR1MMEMMEL1FFAR1ACE

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-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — 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-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN TAAR1 218/4885MME 1/4885MMEL1 299/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN TAAR1 218/4885MME 1/4885MMEL1 299/4885

“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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