SCHEMBL1867710

SCHEMBL1867710

Cc1cc(F)cc(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.43
USP30 Q70CQ3 1/20 0.42
LMNA P02545 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL3616198 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL1867513 0.93 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL19734686 0.88 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL2321941 0.88 MEN1 (0.50) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL1857032 0.88 MEN1 (0.50) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL5475032 0.84 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTUSP30
SCHEMBL969184 0.84 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTUSP30
SCHEMBL969182 0.84 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTUSP30
SCHEMBL5476449 0.84 MEN1 (0.55) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL5476452 0.84 MEN1 (0.55) KMT2AALDH1A1MEN1MAPTHPGD

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 14 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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 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
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 (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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 KMT2A 2255/4885ALDH1A1 1416/4885MEN1 2467/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE KMT2A 2621/4885ALDH1A1 587/4885MEN1 2596/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE KMT2A 2621/4885ALDH1A1 587/4885MEN1 2596/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP KMT2A 3846/4885ALDH1A1 2168/4885MEN1 1913/4885

“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.