SCHEMBL641004

SCHEMBL641004

CC(=O)N1CCC(Nc2ccccc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.50
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ITGAL P20701 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NSD2 O96028 1/20 0.42
MAPK3 P27361 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 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
SCHEMBL642366 0.81 ALDH1A1 (0.46) LMNAALDH1A1SMN1; SMN2MAPTNSD2
SCHEMBL9965412 0.80 MLNR (0.47) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10174382 0.80 MAPK3 (0.48) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9965449 0.79 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5076681 0.78 KDM4E (0.49) LMNAALDH1A1SMN1; SMN2KDM4EBLM
SCHEMBL643978 0.77 MAPT (0.48) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL14639729 0.76 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3632570 0.76 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2KDM4EBLM
SCHEMBL3632566 0.76 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2KDM4EBLM
SCHEMBL641860 0.76 NSD2 (0.51) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A

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 LMNA 3969/4885ALDH1A1 2109/4885SMN1; SMN2 3948/4885

“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.