SCHEMBL5132089

SCHEMBL5132089

O=C1C(Cc2ccc(Cl)cc2Cl)CCN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CYP2A13 Q16696 1/20 0.36
LMNA P02545 2/20 0.36
P2RX7 Q99572 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
CXCR3 P49682 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
CNR1 P21554 1/20 0.35
EPHX2 P34913 3/20 0.34
ROCK2 O75116 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2J2 P51589 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
SCHEMBL4506472 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2P2RX7MAPTCYP2C9
SCHEMBL5127854 0.88 P2RX7 (0.38) ALDH1A1SMN1; SMN2LMNAP2RX7GAA
SCHEMBL4517200 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAP2RX7GAA
SCHEMBL4515192 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2ROCK2
SCHEMBL4508244 0.81 MLNR (0.34) ALDH1A1SMN1; SMN2LMNAP2RX7CXCR3
SCHEMBL4507429 0.79 EPHX2 (0.37) ALDH1A1SMN1; SMN2CYP2A13P2RX7NPSR1
SCHEMBL13674467 0.78 BRD4 (0.33) ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL2993186 0.78 P2RX7 (0.40) ALDH1A1CYP2A13P2RX7CXCR3
SCHEMBL4515943 0.77 P2RX7 (0.36) ALDH1A1SMN1; SMN2LMNAP2RX7
SCHEMBL2989024 0.77 P2RX7 (0.41) CYP2A13P2RX7CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US 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 ALDH1A1 108/4885SMN1; SMN2 4576/4885PDCD1 3534/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 118/4885SMN1; SMN2 4334/4885PDCD1 3538/4885

“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.