SCHEMBL3321977

SCHEMBL3321977

O=C(NCc1cccs1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.69
KDM4E B2RXH2 2/20 0.69
EPHX2 P34913 4/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 6/20 0.60
LMNA P02545 2/20 0.56
GLA P06280 1/20 0.55
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
USP2 O75604 1/20 0.52
EPHX1 P07099 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3322037 0.88 HSD11B1 (0.69) HSD11B1KDM4EEPHX2MAPK1ALDH1A1
SCHEMBL13949937 0.85 HSD11B1 (0.54) HSD11B1KDM4EEPHX2MAPK1ALDH1A1
SCHEMBL3327946 0.82 HSD11B1 (1.00) HSD11B1KDM4EALDH1A1LMNAKMT2A
SCHEMBL3327631 0.80 HSD11B1 (0.67) HSD11B1KDM4EALDH1A1KMT2APOLB
SCHEMBL15009750 0.79 KDM4E (0.59) HSD11B1KDM4EALDH1A1GLAKMT2A
SCHEMBL3323134 0.78 KDM4E (0.59) HSD11B1KDM4EEPHX2MAPK1ALDH1A1
SCHEMBL3321023 0.78 HSD11B1 (0.74) HSD11B1KDM4EALDH1A1LMNAKMT2A
SCHEMBL14142610 0.78 LMNA (0.80) HSD11B1KDM4EALDH1A1LMNAKMT2A
SCHEMBL3320923 0.76 KDM4E (0.57) HSD11B1KDM4EEPHX2ALDH1A1GLA
SCHEMBL13361608 0.76 HSD11B1 (0.87) HSD11B1KDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399475-B2 Crystalline and amorphous forms of naltrexone hydrochloride MALLINCKRODT LLC (US) 2013-03-19 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120814-A1 Crystalline and Amorphous Forms of Naltrexone Hydrochloride OCERA THERAPEUTICS LLC 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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 (3 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-20100120814-A1 Crystalline and Amorphous Forms of Naltrexone Hydrochloride SLC6A3, OPRK1, LPXN HSD11B1 612/4885KDM4E 1425/4885EPHX2 2752/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885KDM4E 1839/4885EPHX2 481/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885KDM4E 1594/4885EPHX2 1653/4885

“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.