SCHEMBL2884743

SCHEMBL2884743

CC(=O)N1CCC(Nc2ccccc2CNc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SLC6A4 P31645 7/20 0.41
HTR2A P28223 2/20 0.41
HRH3 Q9Y5N1 5/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
NSD2 O96028 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ATF4 P18848 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL643978 0.89 MAPT (0.48) MAPTNSD2UBE2MDCUN1D1KDM4E
SCHEMBL13028221 0.87 GAA (0.48) MAPTUBE2MDCUN1D1KDM4EALDH1A1
SCHEMBL10173975 0.85 MAPT (0.45) MAPTSLC6A4HRH3SLC6A2SLC6A3
SCHEMBL5149687 0.85 MAPT (0.45) MAPTSLC6A4HRH3SLC6A2SLC6A3
SCHEMBL2890462 0.83 TSPO (0.48) MAPTSLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL642465 0.82 SLC6A4 (0.52) MAPTSLC6A4HTR2AHRH3SLC6A2
SCHEMBL9965411 0.80 LMNA (0.46) MAPTSLC6A4HRH3SLC6A2SLC6A3
SCHEMBL9965404 0.79 MAPK14 (0.48) MAPTSLC6A4HTR2AHRH3SLC6A2
SCHEMBL9965443 0.78 SLC6A4 (0.48) MAPTSLC6A4HTR2AHRH3SLC6A2
SCHEMBL9965449 0.78 KDM4E (0.51) MAPTNSD2UBE2MDCUN1D1KDM4E

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
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 MAPT 4877/4885SLC6A4 1489/4885HTR2A 1938/4885

“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.