SCHEMBL4365083

SCHEMBL4365083

COc1ccc2c(Cl)nccc2c1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.64
PDE4A P27815 10/20 0.50
PDE4D Q08499 9/20 0.50
PDE4C Q08493 5/20 0.50
PDE1B Q01064 2/20 0.43
PDE2A O00408 1/20 0.43
PDE8B O95263 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL1536503 0.81 PDE1B (0.48) PDE4BPDE4DPDE1BPDE2APDE8B
SCHEMBL4369695 0.80 PDE4B (0.67) PDE4BPDE4APDE4DPDE4CPDE1B
SCHEMBL7446753 0.80 PDE4B (0.67) PDE4BPDE4APDE4DPDE4C
SCHEMBL4371694 0.80 PDE4B (0.64) PDE4BPDE4APDE4DPDE4CPDE1B
SCHEMBL4368584 0.79 PDE4B (0.83) PDE4BPDE4APDE4DPDE4CPDE1B
SCHEMBL13624574 0.78 PDE4B (1.00) PDE4BPDE4APDE4DPDE4C
SCHEMBL4366179 0.78 PDE4B (0.74) PDE4BPDE4APDE4DPDE4C
SCHEMBL15647758 0.76 KMT2A (0.46) PDE4BPDE4DPDE1BPDE2APDE8B
SCHEMBL4370781 0.73 PDE4B (0.75) PDE4BPDE4APDE4DPDE4C
SCHEMBL1536502 0.73 CYP19A1 (0.49) PDE4DPDE1BPDE2APDE8BADORA3

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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 4/4885

“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.