SCHEMBL641293

SCHEMBL641293

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.47
HTR2A P28223 2/20 0.47
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NAMPT P43490 1/20 0.43
ATF4 P18848 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
TACR1 P25103 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 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
SCHEMBL641796 0.89 SLC6A4 (0.50) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL14639763 0.89 NAMPT (0.42) HTR2APOLBMEN1KMT2ANAMPT
SCHEMBL642465 0.87 SLC6A4 (0.52) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL9965447 0.84 POLB (0.48) POLBMEN1KMT2ANAMPTATF4
SCHEMBL9965443 0.83 SLC6A4 (0.48) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL640921 0.83 CCR8 (0.57) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL642224 0.82 SLC6A4 (0.46) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL5072840 0.82 MEN1 (0.47) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL641547 0.81 KMT2A (0.46) SLC6A4HTR2APOLBMEN1KMT2A
SCHEMBL14639764 0.77 MEN1 (0.43) SLC6A4POLBMEN1KMT2AHRH3

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
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
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 636/4885POLB 3790/4885

“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.