SCHEMBL642227

SCHEMBL642227

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.49
THRB P10828 1/20 0.49
PARP1 P09874 1/20 0.47
TP53 P04637 3/20 0.46
MAPK8 P45983 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A12 P48065 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AHCY P23526 1/20 0.46
STS P08842 1/20 0.45

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
SCHEMBL642606 0.88 CHRM2 (0.56) CNR1CNR2LMNAMEN1KMT2A
SCHEMBL642171 0.87 SLC6A12 (0.50) CNR1CNR2MAPTSLC6A12MEN1
SCHEMBL640961 0.85 CNR1 (0.49) CNR1CNR2MAPK8MAPTMEN1
SCHEMBL642145 0.85 KMT2A (0.48) LMNAMAPTSLC6A12MEN1KMT2A
SCHEMBL642686 0.83 CNR1 (0.51) CNR1CNR2POLBMAPK8SLC6A12
SCHEMBL643240 0.83 CNR1 (0.49) CNR1CNR2MAPTSLC6A12MEN1
SCHEMBL642620 0.82 CNR1 (0.52) CNR1CNR2SLC6A12MEN1KMT2A
SCHEMBL642239 0.82 CNR1 (0.49) CNR1CNR2LMNAMAPTSLC6A12
SCHEMBL3154508 0.82 PTGDR (0.51) CNR1CNR2STS
SCHEMBL640952 0.82 ALDH1A1 (0.58) LMNAMAPTSLC6A12MEN1KMT2A

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 CNR1 23/4885CNR2 33/4885POLB 3790/4885

“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.