SCHEMBL2889040

SCHEMBL2889040

CC(=O)N(Cc1ccccc1N)c1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSPO P30536 10/20 0.57
OPRK1 P41145 2/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALB P02768 1/20 0.47
SLC1A5 Q15758 1/20 0.46

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
SCHEMBL7574173 0.90 TSPO (0.69) TSPOOPRK1ALB
SCHEMBL2892630 0.83 TSPO (0.57) TSPOOPRK1SLC6A2HTR2ASLC6A4
SCHEMBL2890745 0.82 TSPO (0.53) TSPOOPRK1SLC6A2HTR2ASLC6A4
SCHEMBL7573859 0.81 TSPO (0.69) TSPOOPRK1ALB
SCHEMBL14542291 0.77 TSPO (0.77) TSPOOPRK1ALB
SCHEMBL2757574 0.77 TSPO (0.70) TSPOOPRK1ALB
SCHEMBL7575533 0.77 TSPO (0.82) TSPOOPRK1ALB
Ammonia Solution, Strong SCHEMBL7569838 0.76 TSPO (0.75) TSPOOPRK1ALB
SCHEMBL2757581 0.76 TSPO (0.69) TSPOOPRK1ALB
SCHEMBL7574707 0.76 TSPO (0.80) TSPOOPRK1ALB

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 6 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

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 TSPO 928/4885OPRK1 401/4885SLC6A2 1925/4885

“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.