SCHEMBL1912656

SCHEMBL1912656

O=C(CC1(C(=O)O)CCCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C19 P33261 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CDC25B P30305 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
SCHEMBL27698781 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL27719248 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL27534954 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL20509658 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL30493023 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL8779517 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL13904681 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL7509351 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL2972573 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL3699844 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 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 (4 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-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE ALDH1A1 1125/4885MAPK1 3525/4885L3MBTL1 3409/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ALDH1A1 852/4885MAPK1 1206/4885L3MBTL1 3565/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE ALDH1A1 1125/4885MAPK1 3525/4885L3MBTL1 3409/4885
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 ALDH1A1 675/4885MAPK1 2770/4885L3MBTL1 3993/4885

“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.