SCHEMBL742457

SCHEMBL742457

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 2/20 0.34
ADRA2A P08913 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GHSR Q92847 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL742412 0.87 DPP4 (0.41) STSCYP2C19HRH3ESR1ESR2
SCHEMBL10085987 0.87 STS (0.36) STSCYP2C19HRH3ESR1ESR2
SCHEMBL744237 0.79 CYP2C19 (0.36) STSCYP2C19HRH3ESR1ESR2
SCHEMBL327514 0.71 STS (0.48) STSHRH3ESR1ESR2ALDH1A1
SCHEMBL742409 0.68 ADRA2A (0.38) CYP2C19KDM1AADRA2ALMNA
SCHEMBL2307305 0.65 ESR2 (0.60) STSESR1ESR2ALDH1A1HTT
SCHEMBL24761144 0.65 ESR2 (0.56) STSESR1ESR2ALDH1A1NR1H2
SCHEMBL31235916 0.65 HRH3 (0.66) STSHRH3ALDH1A1
SCHEMBL12372019 0.64 HSD11B1 (0.50)
SCHEMBL12105417 0.64 HSD11B1 (0.50)

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 6 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-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 STS 46/4885CYP2C19 89/4885HRH3 3550/4885

“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.