SCHEMBL642620

SCHEMBL642620

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
SLC6A12 P48065 1/20 0.48
KDM5A P29375 4/20 0.44
HMOX1 P09601 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL642145 0.88 KMT2A (0.48) SLC6A12KDM5AHMOX1KMT2AMEN1
SCHEMBL642171 0.86 SLC6A12 (0.50) CNR1CNR2SLC6A12KDM5AHMOX1
SCHEMBL642606 0.85 CHRM2 (0.56) CNR1CNR2KMT2AMEN1L3MBTL1
SCHEMBL9965413 0.85 CNR1 (0.46) CNR1CNR2KMT2AMEN1GAA
SCHEMBL642686 0.83 CNR1 (0.51) CNR1CNR2SLC6A12KDM5AKMT2A
SCHEMBL642227 0.82 CNR1 (0.53) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL643240 0.82 CNR1 (0.49) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL642239 0.81 CNR1 (0.49) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL640952 0.81 ALDH1A1 (0.58) SLC6A12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9965382 0.80 PTPN1 (0.51) KMT2AMEN1GAAL3MBTL1ALDH1A1

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 9 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
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 33/4885SLC6A12 1977/4885

“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.