SCHEMBL2993737

SCHEMBL2993737

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
P2RX7 Q99572 7/20 0.40
HSD11B1 P28845 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36
CXCR3 P49682 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
SCHEMBL2993740 1.00 SIGMAR1 (0.42) SIGMAR1P2RX7HSD11B1TSHRKDM4E
SCHEMBL2993742 1.00 SIGMAR1 (0.42) SIGMAR1P2RX7HSD11B1TSHRKDM4E
SCHEMBL2991629 0.88 HSD11B1 (0.38) P2RX7HSD11B1KDM4EALDH1A1KMT2A
SCHEMBL2991864 0.88 HSD11B1 (0.38) P2RX7HSD11B1KDM4EALDH1A1KMT2A
SCHEMBL2993650 0.88 HSD11B1 (0.38) P2RX7HSD11B1KDM4EALDH1A1KMT2A
SCHEMBL13955036 0.88 HSD11B1 (0.38) SIGMAR1P2RX7HSD11B1TSHRKMT2A
SCHEMBL2993608 0.86 KDM4E (0.36) SIGMAR1P2RX7KDM4ETDP1ALDH1A1
SCHEMBL2993607 0.86 KDM4E (0.36) SIGMAR1P2RX7KDM4ETDP1ALDH1A1
SCHEMBL2985247 0.86 KDM4E (0.36) SIGMAR1P2RX7KDM4ETDP1ALDH1A1
SCHEMBL2994695 0.85 SIGMAR1 (0.42) SIGMAR1P2RX7HSD11B1TSHR

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 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-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 (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 SIGMAR1 2251/4885P2RX7 3884/4885HSD11B1 1/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 SIGMAR1 1574/4885P2RX7 4250/4885HSD11B1 1/4885

“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.