SCHEMBL642145

SCHEMBL642145

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A12 P48065 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM5A P29375 5/20 0.45
HMOX1 P09601 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F10 P00742 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
EPHX2 P34913 1/20 0.42
HTR7 P34969 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
SCHEMBL642171 0.89 SLC6A12 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A12
SCHEMBL642620 0.88 CNR1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A12
SCHEMBL642606 0.85 CHRM2 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL642686 0.85 CNR1 (0.51) KMT2AMEN1SLC6A12KDM5AEPHX2
SCHEMBL642227 0.85 CNR1 (0.53) KMT2AMEN1SLC6A12LMNAMAPT
SCHEMBL643240 0.84 CNR1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A12
SCHEMBL9965376 0.84 SMN1; SMN2 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL642239 0.83 CNR1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A12
SCHEMBL640952 0.83 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A12
SCHEMBL9965427 0.80 HTR4 (0.49) KMT2AMEN1ALDH1A1SLC6A12MAPT

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 KMT2A 1997/4885MEN1 3253/4885ALDH1A1 2109/4885

“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.