SCHEMBL4697044

SCHEMBL4697044

COC(=O)CCCOc1ccc2cc(C(C3CCCCC3)C3CCNC3=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.43
PDE3A Q14432 17/20 0.43
P2RY12 Q9H244 14/20 0.43
PDE2A O00408 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTAFR P25105 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PMP22 Q01453 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL4698593 0.90 PDE3B (0.42) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL2998775 0.83 MEN1 (0.38) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL3002787 0.81 MEN1 (0.37) PDE3BPDE3AP2RY12PDE2AMEN1
SCHEMBL4697440 0.80 CYP26A1 (0.48) PDE3BPDE3ACYP3A4
SCHEMBL4698641 0.77 MRGPRX4 (0.51) CYP3A4
SCHEMBL3554796 0.72 FFAR4 (0.41) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL3753393 0.71 PDE3B (0.38) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL3548869 0.71 FFAR4 (0.42) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL3551305 0.70 FFAR4 (0.42) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL3743991 0.70 PDE3B (0.39) PDE3BPDE3AP2RY12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 PDE3B 870/4885PDE3A 992/4885P2RY12 4525/4885

“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.