SCHEMBL731872

SCHEMBL731872

N#Cc1ccc2c(c1)CCC21COCc2cncn21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
CYP11B2 P19099 15/20 0.42
KDM1A O60341 2/20 0.36
CYP11B1 P15538 3/20 0.35
CYP17A1 P05093 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL741381 0.94 CYP19A1 (0.48) CYP19A1CYP11B2KDM1ACYP11B1CYP17A1
SCHEMBL733033 0.83 ESR1 (0.34) CYP19A1CYP11B2
SCHEMBL3465175 0.83 CYP19A1 (0.56) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL743616 0.81 TSHR (0.32) CYP19A1KDM1A
SCHEMBL743695 0.80 ADRA2A (0.37) CYP19A1CYP11B2KDM1ACYP11B1HRH1
SCHEMBL3466178 0.79 CYP19A1 (0.60) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL13564610 0.77 CYP19A1 (0.58) CYP19A1CYP11B2KDM1ACYP11B1KCNH2
SCHEMBL3464954 0.73 CYP19A1 (0.53) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL732512 0.69 CYP19A1 (0.50) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL3464444 0.68 CYP19A1 (0.52) CYP19A1CYP11B2CYP11B1KCNH2

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 CYP19A1 104/4885CYP11B2 6/4885KDM1A 3697/4885

“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.