SCHEMBL2997280

SCHEMBL2997280

CC(C)CC1CCN(C(=O)O)CC1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 2/20 0.36
HSD17B10 Q99714 1/20 0.34
KDM2B Q8NHM5 2/20 0.34
POLB P06746 1/20 0.33
GBA1 P04062 1/20 0.33
CTSK P43235 1/20 0.33
SLC18A2 Q05940 3/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL9928853 0.86 MEN1 (0.37) MEN1ALDH1A1KMT2APOLBSLC18A2
SCHEMBL9928854 0.86 MEN1 (0.37) MEN1ALDH1A1KMT2APOLBSLC18A2
SCHEMBL3025369 0.80 CYP46A1 (0.34) ALDH1A1POLBGBA1
SCHEMBL3025364 0.80 CYP46A1 (0.34) ALDH1A1POLBGBA1
SCHEMBL1314601 0.80 CYP46A1 (0.34) ALDH1A1POLBGBA1
SCHEMBL2996591 0.80 HPGD (0.44) MEN1ALDH1A1KMT2A
SCHEMBL3031676 0.79 GABRR1 (0.35) DPP4
SCHEMBL3033285 0.79 GABRR1 (0.35) DPP4
SCHEMBL3276769 0.79 GABRR1 (0.35) DPP4
SCHEMBL3033289 0.79 GABRR1 (0.35) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 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 (1 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-20100184805-A1 RENIN INHIBITORS ACE, REN, ACE2 MEN1 3705/4885ALDH1A1 1238/4885KMT2A 4279/4885

“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.