SCHEMBL3057653

SCHEMBL3057653

COc1cccc(CN2CCc3cc(O)c(OC)cc3C2C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
DRD1 P21728 2/20 0.61
SIGMAR1 Q99720 2/20 0.61
DRD3 P35462 1/20 0.61
DHCR7 Q9UBM7 1/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 1/20 0.47
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TBXA2R P21731 1/20 0.44
DHFR P00374 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3058749 0.84 HCRTR1 (0.50) DRD2DRD1SIGMAR1DRD3ALDH1A1
SCHEMBL3057093 0.83 HCRTR1 (0.54) DRD2DRD1SIGMAR1DRD3HCRTR1
SCHEMBL3050890 0.83 DRD1 (0.64) DRD2DRD1SIGMAR1DRD3MAOA
SCHEMBL28742794 0.79 DRD2 (0.56) DRD2DRD1SIGMAR1DRD3MAOA
SCHEMBL3052607 0.79 DHCR7 (0.48) DRD2DRD1SIGMAR1DRD3DHCR7
SCHEMBL5121535 0.79 DRD2 (0.47) DRD2DRD1SIGMAR1DRD3MAOA
SCHEMBL3050133 0.77 DHCR7 (0.55) DRD2DRD1SIGMAR1DRD3DHCR7
SCHEMBL3052036 0.76 DHCR7 (0.80) DRD2SIGMAR1DRD3DHCR7ALDH1A1
SCHEMBL10658249 0.74 MAOA (0.57) DRD2DRD1SIGMAR1DRD3DHCR7
SCHEMBL3052820 0.74 ROCK2 (0.55) DRD2DRD3DHCR7KMT2A

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 DRD2 2317/4885DRD1 3150/4885SIGMAR1 4163/4885

“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.