SCHEMBL641547

SCHEMBL641547

O=C(C1CCCCC1)N1CCC(NCc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SLC6A4 P31645 5/20 0.46
HTR2A P28223 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 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
SCHEMBL642224 0.99 SLC6A4 (0.46) KMT2AMEN1SLC6A4HTR2AALDH1A1
SCHEMBL14639726 0.87 MEN1 (0.43) KMT2AMEN1ALDH1A1HRH3MAPK1
SCHEMBL642465 0.85 SLC6A4 (0.52) KMT2AMEN1SLC6A4HTR2AALDH1A1
SCHEMBL9965443 0.84 SLC6A4 (0.48) KMT2AMEN1SLC6A4HTR2AALDH1A1
SCHEMBL640921 0.84 CCR8 (0.57) KMT2AMEN1SLC6A4HTR2AHRH3
SCHEMBL641796 0.84 SLC6A4 (0.50) KMT2AMEN1SLC6A4HTR2AALDH1A1
SCHEMBL9965400 0.82 KMT2A (0.51) KMT2AMEN1NPSR1NAMPT
SCHEMBL9965414 0.81 KMT2A (0.49) KMT2AMEN1NPSR1NAMPT
SCHEMBL641293 0.81 SLC6A4 (0.47) KMT2AMEN1SLC6A4HTR2AHRH3
SCHEMBL641548 0.77 HTR2A (0.44) KMT2AMEN1SLC6A4HTR2ACCR8

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 KMT2A 1997/4885MEN1 3253/4885SLC6A4 912/4885

“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.