SCHEMBL1552074

SCHEMBL1552074

O=C(Nc1ccccc1)OCC1(COC(=O)Nc2ccccc2)CCSc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
PTGIR P43119 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 3/20 0.39
BCHE P06276 4/20 0.38
MAOB P27338 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2156058 0.88 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL2156649 0.83 HPGD (0.38) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL3774175 0.82 HPGD (0.37) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL1551484 0.82 CHRM3 (0.40) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL3777096 0.80 ACHE (0.38) HPGDBCHEMEN1KMT2AKDM4E
SCHEMBL1552071 0.78 SMN1; SMN2 (0.32) SMN1; SMN2MAPTHPGDNPY1RNPY2R
SCHEMBL2155933 0.78 LMNA (0.45) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL2156981 0.77 MAPT (0.42) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL3770444 0.77 CHRM3 (0.40) SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL1552499 0.76 EPHX1 (0.42) SMN1; SMN2MAPTRAB9ABCHEMEN1

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.