SCHEMBL733033

SCHEMBL733033

Oc1ccc2c(c1)CCC21COCc2cncn21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.34
ESR2 Q92731 11/20 0.34
CYP11B2 P19099 2/20 0.31
CYP19A1 P11511 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL743616 0.84 TSHR (0.32) CYP19A1
SCHEMBL731872 0.83 CYP19A1 (0.42) CYP11B2CYP19A1
SCHEMBL743695 0.83 ADRA2A (0.37) CYP11B2CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL3464504 0.81 CYP19A1 (0.39) ESR1ESR2CYP11B2CYP19A1
SCHEMBL741381 0.77 CYP19A1 (0.48) CYP11B2CYP19A1
SCHEMBL3464404 0.66 CYP19A1 (0.36) CYP11B2CYP19A1
SCHEMBL215429 0.64 ESR2 (0.53) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL29646250 0.64 ESR2 (0.53) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL3465175 0.64 CYP19A1 (0.56) CYP11B2CYP19A1
SCHEMBL12714150 0.61 ESR2 (0.43) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 ESR1 891/4885ESR2 680/4885CYP11B2 6/4885

“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.