SCHEMBL2993608

SCHEMBL2993608

C[C@H]1CC(=O)CC[C@H]1N1CCC(Cc2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 11/20 0.36
GHSR Q92847 1/20 0.36
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL2993607 1.00 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2985247 1.00 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2993737 0.86 SIGMAR1 (0.42) KDM4EALDH1A1KMT2AP2RX7TDP1
SCHEMBL2993740 0.86 SIGMAR1 (0.42) KDM4EALDH1A1KMT2AP2RX7TDP1
SCHEMBL2993742 0.86 SIGMAR1 (0.42) KDM4EALDH1A1KMT2AP2RX7TDP1
SCHEMBL2208659 0.82 HSD11B1 (0.43) P2RX7CNR1IDO1
SCHEMBL2988948 0.81 SIGMAR1 (0.36) KDM4EMAPTP2RX7TDP1SIGMAR1
SCHEMBL2988951 0.81 SIGMAR1 (0.36) KDM4EMAPTP2RX7TDP1SIGMAR1
SCHEMBL2995370 0.81 SIGMAR1 (0.36) KDM4EMAPTP2RX7TDP1SIGMAR1
SCHEMBL3004248 0.79 P2RX7 (0.38) KDM4EMAPTP2RX7TDP1SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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 (2 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 KDM4E 2842/4885ALDH1A1 108/4885MEN1 1967/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 KDM4E 1996/4885ALDH1A1 118/4885MEN1 2203/4885

“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.