SCHEMBL3698595

SCHEMBL3698595

CCC(N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 8/20 0.57
MME P08473 12/20 0.56
GPR34 Q9UPC5 2/20 0.49
ACE P12821 4/20 0.47

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
SCHEMBL3698591 1.00 MMEL1 (0.57) MMEL1MMEGPR34ACE
SCHEMBL3701727 0.88 MME (0.54) MMEL1MMEGPR34ACE
SCHEMBL3701729 0.88 MME (0.54) MMEL1MMEGPR34ACE
SCHEMBL16232070 0.83 MMEL1 (0.47) MMEL1MMEGPR34ACE
SCHEMBL1768317 0.83 CTSL (0.60) MMEL1MMEGPR34ACE
SCHEMBL2878542 0.83 CTSL (0.60) MMEL1MMEGPR34ACE
SCHEMBL1768318 0.83 CTSL (0.60) MMEL1MMEGPR34ACE
SCHEMBL16232085 0.82 MME (0.47) MMEL1MMEGPR34ACE
SCHEMBL11312091 0.82 GPR34 (0.57) MMEL1MMEGPR34ACE
SCHEMBL15608104 0.82 GPR34 (0.57) MMEL1MMEGPR34ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735561-B1 Substituted carbamoylmethoxyacetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2016-07-20 EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 US disclosed
US-8877786-B2 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2735561-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors Novartis AG (CH) 2014-05-28 EP disclosed
EP-2501683-B1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2014-04-23 EP disclosed
US-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2014-03-27 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 (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-20140088165-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 MMEL1 485/4885MME 1/4885GPR34 2133/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME MMEL1 118/4885MME 3/4885GPR34 2818/4885

“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.