SCHEMBL640879

SCHEMBL640879

O=C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.70
HSD11B1 P28845 1/20 0.60
TSHR P16473 1/20 0.54
ALDH1A1 P00352 7/20 0.45
ALOX12 P18054 1/20 0.45
GRM1 Q13255 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.41
DPP4 P27487 3/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL31119839 0.78 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1GRM1
SCHEMBL12204818 0.78 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL8749014 0.78 BPTF (0.72) BPTFHSD11B1TSHRALDH1A1KDM4E
SCHEMBL8749305 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL8749192 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL8749130 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL8748855 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL9272566 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL2529216 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD
SCHEMBL8749153 0.77 BPTF (0.70) BPTFHSD11B1TSHRALDH1A1HPGD

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
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

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 BPTF 4079/4885HSD11B1 124/4885TSHR 89/4885

“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.