SCHEMBL14870714

SCHEMBL14870714

CC(=O)C[C@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRR Q9GZT4 2/20 0.51
▸ PSAT1 Q9Y617 2/20 0.51
▸ PTGS1 P23219 2/20 0.49
▸ ALPI P09923 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ FFAR1 O14842 1/20 0.47
▸ GPR88 Q9GZN0 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ ACACB O00763 1/20 0.47
▸ PPARG P37231 6/20 0.46
▸ PPARA Q07869 5/20 0.46
▸ TPH1 P17752 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL26430900 0.90 ALPI (0.60) PTGS1ALPIPKMXIAPSLC7A5
SCHEMBL29556848 0.86 FFAR1 (0.55) SRRPSAT1PTGS1ALPIPKM
SCHEMBL2032416 0.86 FFAR1 (0.55) SRRPSAT1PTGS1ALPIPKM
Hydrochloric Acid SCHEMBL1912599 0.85 SRR (0.55) SRRPSAT1PTGS1FFAR1EPHX1
SCHEMBL14870611 0.84 TAAR1 (0.53) FFAR1GPR88DPP4TPH1CYP3A4
SCHEMBL10197790 0.84 TAAR1 (0.53) FFAR1MMEACE
SCHEMBL22677522 0.81 SRR (0.53) SRRPSAT1PTGS1FFAR1ACACB
SCHEMBL24311574 0.81 PTGS1 (0.58) SRRPSAT1PTGS1ALPIPKM
SCHEMBL18235377 0.81 PTGS1 (0.58) SRRPSAT1PTGS1ALPIPKM
SCHEMBL10069257 0.81 PTGS1 (0.58) SRRPSAT1PTGS1ALPIPKM

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 SRR 496/4885PSAT1 2680/4885PTGS1 1035/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN SRR 496/4885PSAT1 2680/4885PTGS1 1035/4885

“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