SCHEMBL13895441

SCHEMBL13895441

CCC(=O)C(C)CN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
LMNA P02545 1/20 0.53
USP2 O75604 1/20 0.48
ANPEP P15144 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL19750314 0.82 CHRM2 (0.49) ALDH1A1LMNAANPEPL3MBTL1ABCB1
SCHEMBL9512804 0.82 ALDH1A1 (0.72) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL20749891 0.81 CHRM2 (0.51) ALDH1A1LMNAUSP2ANPEPL3MBTL1
SCHEMBL14276784 0.81 ALDH1A1 (0.70) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL500091 0.81 ALDH1A1 (0.96) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL7979638 0.79 ALDH1A1 (0.68) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL27899777 0.79 ALDH1A1 (0.93) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL7979632 0.79 ALDH1A1 (0.68) ALDH1A1LMNAUSP2ANPEPNPC1
SCHEMBL11668730 0.79 ALDH1A1 (0.62) ALDH1A1LMNAUSP2NPC1L3MBTL1
SCHEMBL1817377 0.78 ALDH1A1 (0.66) ALDH1A1LMNAUSP2ANPEPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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 (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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ALDH1A1 3496/4885LMNA 4381/4885USP2 685/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ALDH1A1 1455/4885LMNA 2463/4885USP2 1544/4885

“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.