SCHEMBL642606

SCHEMBL642606

CCOC(=O)N1CCC(NC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM5 P08912 2/20 0.56
USP2 O75604 1/20 0.56
CHRM3 P20309 1/20 0.56
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL642171 0.88 SLC6A12 (0.50) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL642227 0.88 CNR1 (0.53) CNR1CNR2KMT2AMEN1LMNA
SCHEMBL642145 0.85 KMT2A (0.48) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL642620 0.85 CNR1 (0.52) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL642686 0.84 CNR1 (0.51) CNR1CNR2KMT2AMEN1
SCHEMBL643240 0.83 CNR1 (0.49) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL642239 0.83 CNR1 (0.49) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL640952 0.82 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10107498 0.82 ALDH1A1 (0.58) CHRM2CHRM5USP2CHRM3CNR1
SCHEMBL9965427 0.79 HTR4 (0.49) CHRM3KMT2AMEN1ALDH1A1CHRM1

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 CHRM2 160/4885CHRM5 194/4885USP2 3751/4885

“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.