SCHEMBL10197366

SCHEMBL10197366

CC(=O)COc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CD69 Q07108 2/20 0.44
ELANE P08246 1/20 0.44
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAOB P27338 1/20 0.39
CYP2C19 P33261 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL9503312 0.85 SMN1; SMN2 (0.68) SMN1; SMN2CD69ELANECYP2C19HPGD
SCHEMBL10197363 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CD69ELANEGABRA1GABRB2
SCHEMBL18120698 0.82 SOD1 (0.51) SMN1; SMN2CYP2C19KDM4ECYP2C9POLB
SCHEMBL8219820 0.81 SMN1; SMN2 (0.73) SMN1; SMN2MAOBCYP2C19RAB9AALDH1A1
SCHEMBL17896578 0.78 SMN1; SMN2 (0.58) SMN1; SMN2CD69ELANECYP2C19HPGD
SCHEMBL852266 0.75 GABRA1 (0.46) SMN1; SMN2CD69ELANEGABRA1GABRB2
SCHEMBL16133043 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CD69ELANECYP2C19HPGD
SCHEMBL17896563 0.74 SMN1; SMN2 (0.58) SMN1; SMN2CD69ELANECYP2C19HPGD
SCHEMBL14488840 0.74 CYP3A4 (0.47) SMN1; SMN2ELANEGABRA1GABRB2KDM4E
SCHEMBL8778112 0.74 HPGD (0.54) SMN1; SMN2CYP2C19RAB9AHPGDKDM4E

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 7 patents. 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-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-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE SMN1; SMN2 456/4885CD69 4395/4885ELANE 524/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE SMN1; SMN2 456/4885CD69 4395/4885ELANE 524/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN SMN1; SMN2 1020/4885CD69 4489/4885ELANE 116/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME SMN1; SMN2 3985/4885CD69 4032/4885ELANE 9/4885

“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.