SCHEMBL642170

SCHEMBL642170

CC(C)(C)OC(=O)N1CCCC(NCc2ccccc2Oc2ccc(Cl)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.54
SCN9A Q15858 1/20 0.50
ANO1 Q5XXA6 2/20 0.48
USP30 Q70CQ3 2/20 0.47
SLC6A4 P31645 2/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 4/20 0.43
BCHE P06276 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK8 P45983 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
ACKR3 P25106 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL7133866 0.86 USP30 (0.52) ANO1USP30ALDH1A1MEN1KMT2A
SCHEMBL13434283 0.82 HTT (0.51) AHCYANO1USP30BCHECNR1
SCHEMBL14747175 0.82 HTT (0.51) AHCYANO1USP30BCHECNR1
SCHEMBL9965443 0.82 SLC6A4 (0.48) AHCYSLC6A4HTR2AALDH1A1MEN1
SCHEMBL5666594 0.79 USP30 (0.51) SCN9AANO1USP30ALDH1A1ACKR3
SCHEMBL30933729 0.79 ANO1 (0.53) AHCYSCN9AANO1USP30CNR1
SCHEMBL22222650 0.78 USP30 (0.62) USP30HTR6BCHEKDM1AACKR3
SCHEMBL28779687 0.78 USP30 (0.62) USP30HTR6BCHEKDM1AACKR3
SCHEMBL642465 0.78 SLC6A4 (0.52) SLC6A4HTR2ABCHEALDH1A1MEN1
SCHEMBL6503017 0.77 USP30 (0.52) AHCYSCN9AUSP30HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 AHCY 1760/4885SCN9A 1009/4885ANO1 3951/4885

“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.