SCHEMBL732031

SCHEMBL732031

N#Cc1ccc2c(c1)CCCC2(O)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
CYP19A1 P11511 5/20 0.46
SYK P43405 1/20 0.41
PGR P06401 3/20 0.40
CYP3A4 P08684 3/20 0.38
CYP17A1 P05093 2/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PNMT P11086 1/20 0.36
IDO1 P14902 1/20 0.36
AR P10275 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL779503 0.78 ADRA2A (0.46) KDM1ACYP11B1CYP11B2CYP19A1
SCHEMBL8746223 0.77 KDM1A (0.47) KDM1ACYP11B1CYP11B2CYP19A1SYK
SCHEMBL8746261 0.72 KDM1A (0.47) KDM1ACYP11B1CYP11B2CYP19A1SYK
SCHEMBL3466178 0.65 CYP19A1 (0.60) KDM1ACYP11B1CYP11B2CYP19A1
SCHEMBL731222 0.65 PGR (0.43) KDM1ACYP11B1CYP11B2SYKPGR
SCHEMBL28875599 0.65 KDM1A (0.49) KDM1APGRDRD2DRD3PNMT
SCHEMBL4808214 0.65 KDM1A (0.49) KDM1APGRDRD2DRD3PNMT
SCHEMBL13599735 0.65 PGR (0.49) KDM1ACYP11B1CYP11B2CYP19A1PGR
SCHEMBL1129324 0.64 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1SYK
SCHEMBL5051697 0.64 CYP11B2 (0.50) KDM1ACYP11B1CYP11B2CYP19A1SYK

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-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-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2010540-A1 SPIRO-IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2009-01-07 EP 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 KDM1A 3697/4885CYP11B1 4/4885CYP11B2 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.