SCHEMBL642242

SCHEMBL642242

O=C1CCN(C(=O)c2ccoc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
ALDH1A1 P00352 5/20 0.47
NAMPT P43490 2/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
DNMT1 P26358 1/20 0.44
PTPN7 P35236 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.43
MEN1 O00255 3/20 0.42
CCR5 P51681 1/20 0.40
HPGD P15428 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 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
SCHEMBL28159515 0.84 HPGD (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29944401 0.82 HPGD (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3528070 0.79 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4155286 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16802294 0.79 POLB (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24120195 0.79 HPGD (0.61) ALDH1A1KMT2APOLBL3MBTL1MEN1
SCHEMBL14115751 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16800299 0.76 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL263534 0.74 HPGD (0.66) ALDH1A1POLBL3MBTL1HPGD
SCHEMBL8337700 0.73 EPHX2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 CHRNB2 423/4885CHRNB4 444/4885CHRNA3 249/4885

“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.