SCHEMBL642465

SCHEMBL642465

CC(=O)N1CCC(NCc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
HTR2A P28223 2/20 0.52
PDCD1LG2 Q9BQ51 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HRH3 Q9Y5N1 4/20 0.45
CCR8 P51685 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.42
ABCB11 O95342 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
OPRL1 P41146 1/20 0.42
ATF4 P18848 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL9965443 0.96 SLC6A4 (0.48) SLC6A4HTR2APDCD1LG2CD274MEN1
SCHEMBL641796 0.89 SLC6A4 (0.50) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL640921 0.87 CCR8 (0.57) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL641293 0.87 SLC6A4 (0.47) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL642224 0.86 SLC6A4 (0.46) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL641547 0.85 KMT2A (0.46) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL5072840 0.84 MEN1 (0.47) SLC6A4HTR2AMEN1KMT2APOLB
SCHEMBL2884743 0.82 MAPT (0.43) SLC6A4HTR2ASLC6A2SLC6A3HRH3
SCHEMBL643978 0.81 MAPT (0.48) KMT2AMAPTUBE2MDCUN1D1ATF4
SCHEMBL640922 0.78 SLC6A4 (0.46) SLC6A4HTR2AMEN1KMT2APOLB

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 SLC6A4 912/4885HTR2A 636/4885PDCD1LG2 3956/4885

“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.