SCHEMBL1552499

SCHEMBL1552499

O=C(NC1CCCCC1)OCC1(CO)CCSc2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.42
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.36
FAAH O00519 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
SCHEMBL3786257 0.79 ACHE (0.36) ALDH1A1KMT2ALMNAMEN1BCHE
SCHEMBL1552500 0.78 ASAH1 (0.38)
SCHEMBL1552074 0.76 SMN1; SMN2 (0.39) ALDH1A1RAB9AKMT2ATDP1LMNA
SCHEMBL3770444 0.76 CHRM3 (0.40) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL3770467 0.75 EPHX1 (0.46) EPHX1ALDH1A1RAB9AKMT2ATDP1
SCHEMBL1551484 0.75 CHRM3 (0.40) EPHX1RAB9ASMN1; SMN2MAPT
SCHEMBL3774175 0.75 HPGD (0.37) ALDH1A1KMT2ALMNAMEN1
SCHEMBL1552072 0.74 EPHX1 (0.45) EPHX1ALDH1A1RAB9AKMT2ATDP1
SCHEMBL3777096 0.73 ACHE (0.38) KMT2AMEN1BCHE
SCHEMBL1552810 0.72 ASAH1 (0.40)

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 EPHX1 1122/4885ALDH1A1 613/4885RAB9A 4019/4885

“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.