SCHEMBL3058749

SCHEMBL3058749

COc1cccc(CN2CCc3cc(OS(N)(=O)=O)c(OC)cc3C2C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.50
CA7 P43166 1/20 0.50
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
HCRTR2 O43614 1/20 0.47
DHFR P00374 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
CA1 P00915 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL3057030 0.85 CA2 (0.66) CA7DRD2DRD1DRD3SIGMAR1
SCHEMBL3057653 0.84 DRD2 (0.61) HCRTR1DRD2DRD1DRD3SIGMAR1
SCHEMBL3057093 0.82 HCRTR1 (0.54) HCRTR1DRD2DRD1DRD3SIGMAR1
SCHEMBL18098775 0.80 CA2 (0.70) SIGMAR1CA2CA9KMT2AMEN1
SCHEMBL28742794 0.79 DRD2 (0.56) HCRTR1DRD2DRD1DRD3SIGMAR1
SCHEMBL5121535 0.78 DRD2 (0.47) HCRTR1DRD2DRD1DRD3SIGMAR1
SCHEMBL3046693 0.74 CA2 (0.47) SIGMAR1CA2CA9KMT2AMEN1
SCHEMBL3051222 0.73 CA2 (0.46) SIGMAR1CA2CA9KMT2AMEN1
SCHEMBL22970640 0.71 CA7 (0.57) CA7DRD2DRD1DRD3SIGMAR1
SCHEMBL10664869 0.70 MAOA (0.50) HCRTR1CA7DRD2DRD1DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC HCRTR1 2986/4885CA7 966/4885DRD2 2317/4885

“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.