SCHEMBL742412

SCHEMBL742412

COc1ccc2c(c1)CCC21COCC(C#N)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
STS P08842 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM1A O60341 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H2 P55055 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL10085987 0.91 STS (0.36) DPP4STSMTNR1AMTNR1BCYP2C19
SCHEMBL742457 0.87 STS (0.36) STSMTNR1AMTNR1BCYP2C19HRH3
SCHEMBL744237 0.76 CYP2C19 (0.36) STSCYP2C19HRH3ESR1ESR2
SCHEMBL327514 0.69 STS (0.48) STSHRH3ESR1ESR2ALDH1A1
SCHEMBL742452 0.67 KDM1A (0.39) CYP2C19KDM1A
SCHEMBL742409 0.66 ADRA2A (0.38) CYP2C19KDM1A
SCHEMBL24761144 0.65 ESR2 (0.56) STSESR1ESR2DDB1CRBN
SCHEMBL2307305 0.63 ESR2 (0.60) STSESR1ESR2CA1CA2
SCHEMBL7995839 0.62 DPP4 (0.64) DPP4DPP8
SCHEMBL7977842 0.62 DPP4 (0.64) DPP4DPP8

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 4 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
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 DPP4 1957/4885STS 46/4885MTNR1A 159/4885

“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.