SCHEMBL3565628

SCHEMBL3565628

Cc1cccc(-c2c(F)cccc2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.46
KAT5 Q92993 2/20 0.46
USP30 Q70CQ3 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KAT7 O95251 2/20 0.43
KAT8 Q9H7Z6 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
REN P00797 1/20 0.41
ACKR3 P25106 1/20 0.40
HSD11B1 P28845 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
SCHEMBL3571520 1.00 KAT6A (0.46) KAT6AKAT5USP30GPR119GAA
SCHEMBL2850274 0.90 KAT6A (0.49) KAT6AKAT5USP30GPR119KAT7
SCHEMBL2850273 0.90 KAT6A (0.49) KAT6AKAT5USP30GPR119KAT7
SCHEMBL4746792 0.84 GPR119 (0.43) KAT6AKAT5USP30GPR119GAA
SCHEMBL5593263 0.84 GRM5 (0.39) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1867619 0.83 GAA (0.49) USP30GPR119GAARAB9AALDH1A1
SCHEMBL3617205 0.83 GAA (0.49) USP30GPR119GAARAB9AALDH1A1
SCHEMBL5593571 0.83 RAB9A (0.53) USP30GAARAB9AKAT7KAT8
SCHEMBL1861675 0.83 RAB9A (0.53) USP30GAARAB9AKAT7KAT8
SCHEMBL3943237 0.83 GPR119 (0.41) KAT6AKAT5USP30GPR119KAT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (3 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 KAT6A 4428/4885KAT5 4181/4885USP30 1423/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP KAT6A 2746/4885KAT5 3064/4885USP30 2954/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 KAT6A 4029/4885KAT5 4184/4885USP30 1468/4885

“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.