SCHEMBL4452503

SCHEMBL4452503

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
S1PR1 P21453 9/20 0.38
S1PR3 Q99500 7/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
FFAR2 O15552 1/20 0.37
HDAC5 Q9UQL6 1/20 0.36
TACR1 P25103 2/20 0.35
AR P10275 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL4449987 0.84 HCRTR1 (0.39) HDAC1HDAC8HDAC6TACR1PDE3B
SCHEMBL4458260 0.83 PDE3B (0.41) PDE3BPDE3A
SCHEMBL4474719 0.76 PDE3B (0.39) S1PR1S1PR3PDE3BPDE3A
SCHEMBL5286742 0.74 IDH1 (0.43)
SCHEMBL2615701 0.74 IDH1 (0.43)
SCHEMBL5281444 0.74 IDH1 (0.43)
SCHEMBL4452498 0.74 HDAC1 (0.42) S1PR1S1PR3HDAC1HDAC8HDAC6
SCHEMBL2308885 0.71 BRD4 (0.40) MMP2
SCHEMBL10308940 0.71 MTOR (0.38) P2RX7
SCHEMBL8168600 0.71 MTOR (0.38) P2RX7

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 P2RX7 1453/4885S1PR1 3342/4885S1PR3 3377/4885

“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.