SCHEMBL4449987

SCHEMBL4449987

CN1C(=O)OCC1c1ccc(-c2ccccc2)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.39
HCRTR2 O43614 8/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
CETP P11597 6/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TACR1 P25103 2/20 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
SCHEMBL4452503 0.84 P2RX7 (0.39) PDE3BPDE3AHDAC1HDAC8HDAC6
SCHEMBL4458260 0.81 PDE3B (0.41) PDE3BPDE3A
SCHEMBL4472192 0.77 GRM2 (0.35) HCRTR1HCRTR2PDE3BPDE3ACETP
SCHEMBL4449982 0.75 HDAC1 (0.39) HCRTR1HCRTR2PDE3BPDE3AHDAC1
SCHEMBL5286742 0.72 IDH1 (0.43)
SCHEMBL5281444 0.72 IDH1 (0.43)
SCHEMBL2615701 0.72 IDH1 (0.43)
SCHEMBL4463022 0.72 MDM2 (0.39) PDE3BPDE3A
SCHEMBL2308885 0.70 BRD4 (0.40)
SCHEMBL10308940 0.69 MTOR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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 (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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 HCRTR1 3435/4885HCRTR2 3347/4885PDE3B 59/4885

“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.