SCHEMBL2604736

SCHEMBL2604736

CN1CCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.60
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 3/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL5157728 0.82 HSD11B1 (0.54) HSD11B1HSD17B10L3MBTL1EPHX2NPC1
SCHEMBL5157584 0.81 HSD11B1 (0.67) HSD11B1HSD17B10L3MBTL1EPHX2NPC1
SCHEMBL5160289 0.79 HSD11B1 (0.68) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL5154827 0.77 HSD11B1 (0.70) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
SCHEMBL6504402 0.77 HSD11B1 (0.65) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
SCHEMBL5158497 0.76 HSD11B1 (0.68) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
SCHEMBL5175433 0.76 HSD11B1 (0.61) HSD11B1HSD17B10L3MBTL1EPHX2NPC1
SCHEMBL5157591 0.76 HSD11B1 (0.63) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
SCHEMBL5158011 0.76 HSD11B1 (0.51) HSD11B1HSD17B10L3MBTL1ALDH1A1EPHX2
SCHEMBL6504408 0.76 HSD11B1 (0.63) HSD11B1HSD17B10L3MBTL1EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO HSD11B1 163/4885HSD17B10 419/4885L3MBTL1 1315/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO HSD11B1 163/4885HSD17B10 419/4885L3MBTL1 1315/4885

“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.