SCHEMBL4303570

SCHEMBL4303570

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccc(F)c2N2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.44
HSD11B1 P28845 1/20 0.43
USP30 Q70CQ3 1/20 0.43
POLB P06746 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL3878807 1.00 GAA (0.47) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL3617205 0.88 GAA (0.49) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1867619 0.88 GAA (0.49) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1861675 0.88 RAB9A (0.53) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL5593571 0.88 RAB9A (0.53) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1870934 0.86 GAA (0.48) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL970359 0.83 POLB (0.51) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL970360 0.83 POLB (0.51) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1869734 0.81 ALOX5AP (0.47) GAARAB9AALDH1A1MEN1KMT2A
SCHEMBL1869732 0.81 ALOX5AP (0.47) GAARAB9AALDH1A1MEN1KMT2A

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 4 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-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
WO-2007117482-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 (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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 GAA 56/4885RAB9A 420/4885ALDH1A1 1084/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 GAA 25/4885RAB9A 466/4885ALDH1A1 1060/4885

“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.