SCHEMBL642686

SCHEMBL642686

O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
EPHX1 P07099 1/20 0.51
SLC6A12 P48065 1/20 0.51
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MGLL Q99685 1/20 0.45
KDM5A P29375 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
CCR3 P51677 1/20 0.44
MAPK8 P45983 1/20 0.43
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL642171 0.88 SLC6A12 (0.50) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL642145 0.85 KMT2A (0.48) SLC6A12KMT2AMEN1KDM5AHTR7
SCHEMBL643240 0.85 CNR1 (0.49) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL642239 0.84 CNR1 (0.49) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL642606 0.84 CHRM2 (0.56) CNR1CNR2KMT2AMEN1
SCHEMBL641134 0.84 CNR1 (0.49) CNR1CNR2EPHX1KMT2AMEN1
SCHEMBL642227 0.83 CNR1 (0.53) CNR1CNR2SLC6A12POLBKMT2A
SCHEMBL642620 0.83 CNR1 (0.52) CNR1CNR2SLC6A12KMT2AMEN1
SCHEMBL640952 0.82 ALDH1A1 (0.58) SLC6A12KMT2AMEN1
SCHEMBL9965427 0.81 HTR4 (0.49) SLC6A12KMT2AMEN1HTR1A

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 CNR1 23/4885CNR2 33/4885EPHX1 1684/4885

“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.