SCHEMBL3054428

SCHEMBL3054428

COc1cc2c(cc1OCc1ccccc1)CC(C)NC2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51
PDE4B Q07343 2/20 0.51
AGTR2 P50052 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL3051394 0.86 CHRNA7 (0.50) CHRNA7PDE4BAGTR2PDE4APDE4C
SCHEMBL8964561 0.83 AGTR2 (0.54) CHRNA7PDE4BAGTR2PDE4APDE4C
SCHEMBL8964158 0.83 AGTR2 (0.54) CHRNA7PDE4BAGTR2PDE4APDE4C
SCHEMBL9416538 0.82 PDE4B (0.55) CHRNA7PDE4BAGTR2PDE4APDE4C
SCHEMBL1011095 0.82 PNMT (0.51)
SCHEMBL243337 0.81 AGTR2 (0.50) CHRNA7PDE4BAGTR2PDE4APDE4C
Hydrochloric Acid SCHEMBL5708777 0.80 PNMT (0.50)
SCHEMBL23701145 0.79 HRH3 (0.52)
SCHEMBL30014406 0.79 HRH3 (0.52)
SCHEMBL10073579 0.78 AGTR2 (0.49) PDE4BAGTR2PDE4APDE4CPDE4D

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-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
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 CHRNA7 4760/4885PDE4B 1822/4885AGTR2 1463/4885

“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.