SCHEMBL1870934

SCHEMBL1870934

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccc(F)c2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.47
STS P08842 2/20 0.45
HSD11B1 P28845 1/20 0.44
USP30 Q70CQ3 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PARP1 P09874 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
SCHEMBL1867619 0.89 GAA (0.49) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL3617205 0.89 GAA (0.49) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL5593571 0.89 RAB9A (0.53) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL1861675 0.89 RAB9A (0.53) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL970359 0.88 POLB (0.51) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL970360 0.88 POLB (0.51) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL4303570 0.86 GAA (0.47) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL3878807 0.86 GAA (0.47) GAARAB9APOLBALDH1A1KMT2A
SCHEMBL1869734 0.82 ALOX5AP (0.47) GAARAB9AALDH1A1KMT2AMEN1
SCHEMBL1869732 0.82 ALOX5AP (0.47) GAARAB9AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US 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-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

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE GAA 36/4885RAB9A 3108/4885POLB 1750/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE GAA 36/4885RAB9A 3108/4885POLB 1750/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP GAA 22/4885RAB9A 178/4885POLB 670/4885

“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.