SCHEMBL3128693

SCHEMBL3128693

COc1ccc(NCc2cnco2)cc1OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PDE4A P27815 12/20 0.42
QPCT Q16769 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
PDE4D Q08499 6/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL3131840 0.95 POLB (0.42) POLBPDE4AQPCTAAK1PDE4D
SCHEMBL3126037 0.87 PDE4D (0.43) PDE4AAAK1PDE4DPDE4BPDE4C
SCHEMBL3132677 0.82 PDE4B (0.41) PDE4AAAK1PDE4DPDE4BPDE4C
SCHEMBL3133564 0.81 POLB (0.48) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL3120371 0.81 AAK1 (0.41) AAK1PDE4B
SCHEMBL3121042 0.80 BRD4 (0.50) AAK1
SCHEMBL3131230 0.79 KDM4E (0.40) AAK1
SCHEMBL3133279 0.78 POLB (0.51) POLBPDE4AQPCTPDE4DPDE4B
SCHEMBL3121303 0.78 AAK1 (0.41) AAK1
SCHEMBL3117586 0.78 BRD4 (0.50) AAK1

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B POLB 1798/4885PDE4A 1/4885QPCT 1877/4885

“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.