SCHEMBL3078624

SCHEMBL3078624

CC(C)(C)OC(=O)N1CC2(CCCCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.37
KDM1A O60341 1/20 0.37
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
HPGD P15428 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD11B1 P28845 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3733841 0.98 KDM1A (0.38) BUB1KDM1AGRIN2BGRIN2CHPGD
SCHEMBL25238948 0.95 KDM1A (0.38) BUB1KDM1AGRIN2BGRIN2CHPGD
SCHEMBL24569354 0.92 KDM1A (0.39) BUB1KDM1AGRIN2BGRIN2CCYP11B2
SCHEMBL29921574 0.85 CYP11B2 (0.44) CYP11B2SMN1; SMN2USP2
SCHEMBL15931188 0.82 USP2 (0.38) BUB1KDM1ACYP11B2CHRM2CHRM1
SCHEMBL25230658 0.80 USP2 (0.38) BUB1KDM1AGRIN2BGRIN2CCYP11B2
SCHEMBL17438536 0.80 OPRM1 (0.43) KDM1ACHRM2CHRM1CHRM3DDB1
SCHEMBL21246537 0.79 ALDH1A1 (0.38) HPGDEPHX1KDM4E
SCHEMBL26663664 0.78 KDM1A (0.39) BUB1KDM1AGRIN2BGRIN2CCYP11B2
SCHEMBL31480068 0.78 KDM1A (0.41) BUB1KDM1AGRIN2BGRIN2CCYP11B2

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
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 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 (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-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA BUB1 4124/4885KDM1A 1895/4885GRIN2B 2625/4885

“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.