SCHEMBL1552071

SCHEMBL1552071

NC(=O)OC(c1ccccc1)C1(COC(=O)Nc2ccccc2)CCSc2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
F9 P00740 2/20 0.32
F10 P00742 2/20 0.32
PLAU P00749 2/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
CCKAR P32238 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SCN1A P35498 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL1552074 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL2156058 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL2156050 0.70 MAPT (0.38) SMN1; SMN2MAPTHPGDLMNACYP1A2
SCHEMBL2156649 0.68 HPGD (0.38) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL1551484 0.67 CHRM3 (0.40) SMN1; SMN2MAPTHPGDCYP1A2CYP2C19
SCHEMBL3774175 0.65 HPGD (0.37) HPGDLMNAMEN1KMT2AALDH1A1
SCHEMBL2156981 0.64 MAPT (0.42) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL1551475 0.64 PTGIR (0.46) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL2155933 0.63 LMNA (0.45) SMN1; SMN2MAPTHPGDLMNACYP1A2
SCHEMBL3770444 0.62 CHRM3 (0.40) SMN1; SMN2MAPTRAB9AALDH1A1

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-1891035-B1 SUBSTITUTED BENZO-CONDENSED CYCLOHEPTANONE DERIVATIVES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2011-04-27 EP claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US claimed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US disclosed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US 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-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs ABCB1, DHFR, DHPS SMN1; SMN2 3712/4885MAPT 2312/4885HPGD 59/4885

“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.