SCHEMBL12999930

SCHEMBL12999930

CCOC(=O)CCNC(=O)c1c[nH]c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MLYCD O95822 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13222147 0.77 KDM4E (0.54) KDM4EPOLBLMNA
SCHEMBL24080898 0.77 CREBBP (0.51) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL12999390 0.77 MLYCD (0.39) GPR84SMN1; SMN2MCL1MAPTCYP1A2
SCHEMBL21754889 0.77 GPR84 (0.67) GPR84MAPTKDM4EMLYCDALOX15
SCHEMBL12999915 0.74 ENPP2 (0.43) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL12999511 0.74 KMT2A (0.39) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL3425306 0.74 CYP1A2 (0.46) SMN1; SMN2MCL1MAPTCYP1A2CYP3A4
SCHEMBL12999481 0.74 ALDH1A1 (0.45) SMN1; SMN2MCL1MAPTCYP1A2CYP3A4
SCHEMBL8532608 0.73 ALDH1A1 (0.47) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6778647 0.72 SMN1; SMN2 (0.43) SMN1; SMN2MCL1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GPR84 1165/4885SMN1; SMN2 1020/4885MCL1 4314/4885

“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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