SCHEMBL8551524

SCHEMBL8551524

C[C@H](CCNC(=O)Cc1cccc(C(=O)O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
MEP1B Q16820 5/20 0.47
FOLH1 Q04609 9/20 0.46
MRGPRX4 Q96LA9 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL12341481 0.82 NPC1 (0.48)
SCHEMBL9209594 0.75 FOLH1 (0.62) MEP1BFOLH1MRGPRX4
SCHEMBL28381607 0.75 MRGPRX4 (0.46) MEP1BFOLH1MRGPRX4NR1H4
SCHEMBL27516888 0.73 MEP1B (0.51) MEP1BFOLH1NR1H4
SCHEMBL23903309 0.72 LMNA (0.52) CNR1
SCHEMBL10789439 0.72 CNR1 (0.71) CNR1
SCHEMBL27790062 0.72 EPHX2 (0.65)
SCHEMBL8531436 0.72 TDP1 (0.44) CNR1
SCHEMBL10698881 0.71 FOLH1 (0.57) MEP1BFOLH1
SCHEMBL27654141 0.70 SMN1; SMN2 (0.51)

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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO 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 (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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CNR1 168/4885MEP1B 128/4885FOLH1 638/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CNR1 291/4885MEP1B 511/4885FOLH1 332/4885

“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.