SCHEMBL2325970

SCHEMBL2325970

Cc1cccc([C@H](OCC#N)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
USP30 Q70CQ3 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
ACKR3 P25106 1/20 0.38
CYP3A4 P08684 2/20 0.38
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL2325977 1.00 REN (0.46) RENMAPTMEN1KMT2AALDH1A1
SCHEMBL2325965 1.00 REN (0.46) RENMAPTMEN1KMT2AALDH1A1
SCHEMBL2326782 0.90 REN (0.49) RENMAPTMEN1KMT2AALDH1A1
SCHEMBL2326773 0.90 REN (0.49) RENMAPTMEN1KMT2AALDH1A1
SCHEMBL2326778 0.90 REN (0.49) RENMAPTMEN1KMT2AALDH1A1
SCHEMBL2329294 0.88 REN (0.47) RENCYP3A4
SCHEMBL2329296 0.88 REN (0.47) RENCYP3A4
SCHEMBL2332378 0.86 REN (0.50) RENGPR119USP30CYP3A4
SCHEMBL2332382 0.86 REN (0.50) RENGPR119USP30CYP3A4
SCHEMBL2332375 0.86 REN (0.50) RENGPR119USP30CYP3A4

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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
EP-2081927-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-08-17 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090318501-A1 Piperidine derivatives as renin inhibitors VITAE PHARMACEUTICALS, INC. 2009-12-24 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 REN 180/4885MAPT 470/4885MEN1 2467/4885
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD REN 4/4885MAPT 1385/4885MEN1 3790/4885

“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.