SCHEMBL3882271

SCHEMBL3882271

CN1CCN(C(=O)c2ccccc2-c2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.47
PDE1B Q01064 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE7A Q13946 2/20 0.47
PDE1C Q14123 2/20 0.47
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
METAP2 P50579 2/20 0.39
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 1/20 0.37
RECQL P46063 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL207805 0.99 PDE1A (0.46) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL208945 0.87 HSD11B1 (0.52) HSD11B1ALDH1A1P2RX7
SCHEMBL208896 0.87 PDE5A (0.45) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL3880954 0.86 PDE5A (0.47) PDE1APDE1BPDE4DPDE7APDE1C
Hydrochloric Acid SCHEMBL2994496 0.86 PDE5A (0.45) PDE1APDE1BPDE4DPDE7APDE1C
Hydrochloric Acid SCHEMBL2995725 0.85 PDE5A (0.47) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL2995575 0.84 HSD11B1 (0.44) HSD11B1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL3554331 0.79 HSD11B1 (0.60) HSD11B1CNR1
SCHEMBL211080 0.79 PDE5A (0.48) PDE1APDE1BPDE4DPDE7APDE1C
Hydrochloric Acid SCHEMBL207291 0.78 PDE5A (0.47) PDE1APDE1BPDE4DPDE7APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 PDE1A 1273/4885PDE1B 1490/4885PDE4D 1838/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 PDE1A 1002/4885PDE1B 940/4885PDE4D 659/4885

“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.