SCHEMBL7536987

SCHEMBL7536987

CCCCOC(=O)CC1(C(=O)O)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PRKCA P17252 3/20 0.38
DGKA P23743 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAD52 P43351 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL28757144 0.97 MEN1 (0.43) CYP2C19MEN1KMT2ANAAAALDH1A1
SCHEMBL7421247 0.86 NAAA (0.39) CYP2C19MEN1KMT2ANAAAALDH1A1
SCHEMBL27602568 0.84 MEN1 (0.44) CYP2C19MEN1KMT2ANAAAALDH1A1
SCHEMBL13914170 0.83 CYP4F2 (0.45) MEN1KMT2ANAAAALDH1A1ATM
SCHEMBL3707904 0.82 CYP2C19 (0.53) CYP2C19MEN1KMT2AALDH1A1HPGD
SCHEMBL2938022 0.81 CYP2C19 (0.57) CYP2C19MEN1KMT2AALDH1A1HPGD
SCHEMBL13945296 0.79 ALDH1A1 (0.43) MEN1KMT2ANAAAALDH1A1TSHR
SCHEMBL28186350 0.78 NAAA (0.43) MEN1KMT2ANAAAALDH1A1TSHR
SCHEMBL12999536 0.77 CYP2C19 (0.47) CYP2C19MEN1KMT2ANAAAALDH1A1
SCHEMBL5032098 0.76 ACHE (0.46) CYP2C19MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
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
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 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-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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN CYP2C19 1196/4885MEN1 1133/4885KMT2A 3245/4885
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CYP2C19 1226/4885MEN1 2146/4885KMT2A 2917/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CYP2C19 1196/4885MEN1 1133/4885KMT2A 3245/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CYP2C19 1196/4885MEN1 1133/4885KMT2A 3245/4885

“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.