SCHEMBL731222

SCHEMBL731222

N#Cc1ccc2c(c1)CCCC2(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.43
SYK P43405 2/20 0.40
KDM1A O60341 1/20 0.39
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
ENPP2 Q13822 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
CCR1 P32246 1/20 0.32
CYP17A1 P05093 2/20 0.31
CYP3A4 P08684 2/20 0.31
CXCR5 P32302 1/20 0.31
PNMT P11086 1/20 0.30
BACE1 P56817 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
SCHEMBL733454 0.86 KDM1A (0.39) PGRSYKKDM1ADRD2DRD3
SCHEMBL769096 0.84 ENPP2 (0.37) PGRKDM1ADRD2ENPP2CYP11B1
SCHEMBL731436 0.82 KDM1A (0.35) PGRSYKKDM1ADRD2DRD3
SCHEMBL731890 0.82 KDM1A (0.35) PGRSYKKDM1ADRD2DRD3
SCHEMBL4445905 0.81 KDM1A (0.34) PGRSYKKDM1ADRD2DRD3
SCHEMBL4045639 0.81 KDM1A (0.34) PGRSYKKDM1ADRD2DRD3
SCHEMBL733341 0.80 KDM1A (0.35) PGRSYKKDM1ADRD2DRD3
SCHEMBL731360 0.78 DRD2 (0.33) PGRSYKKDM1ADRD2DRD3
SCHEMBL731083 0.78 DRD2 (0.33) PGRSYKKDM1ADRD2DRD3
SCHEMBL731027 0.76 KDM1A (0.32) KDM1ADRD2DRD3DRD4OPRM1

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 PGR 487/4885SYK 2156/4885KDM1A 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.