SCHEMBL3554796

SCHEMBL3554796

O=C(O)CCCOc1ccc(-c2cc(Cl)c(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.41
FFAR1 O14842 5/20 0.41
CYP2C9 P11712 1/20 0.40
SCN5A Q14524 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
S1PR1 P21453 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL2999221 0.95 MMP2 (0.41) FFAR4FFAR1CYP2C9SCN5APTGDR2
SCHEMBL3548869 0.91 FFAR4 (0.42) FFAR4FFAR1CYP2C9SCN5APTGDR2
SCHEMBL3548272 0.91 KMT2A (0.37) FFAR4PTGDR2MEN1KMT2A
SCHEMBL2998775 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1PDE3BPDE3A
SCHEMBL3001203 0.88 FFAR4 (0.43) FFAR4FFAR1CYP2C9SCN5APTGDR2
SCHEMBL2989144 0.86 PSEN1 (0.43) FFAR4FFAR1PSEN1PSEN2APH1B
SCHEMBL3001081 0.84 ESR1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL3551305 0.82 FFAR4 (0.42) FFAR4FFAR1CYP2C9SCN5APTGDR2
SCHEMBL209307 0.82 PDE4D (0.41) CYP2C9ALDH1A1PDE3A
SCHEMBL4698593 0.82 PDE3B (0.42) FFAR4PTGDR2MEN1KMT2AALDH1A1

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
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 FFAR4 661/4885FFAR1 264/4885CYP2C9 200/4885

“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.