SCHEMBL4444393

SCHEMBL4444393

CC1OC(=O)N(c2ccc(-c3ccccc3F)c(F)c2)C1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 5/20 0.39
GRM2 Q14416 1/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CALML3 P27482 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 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
SCHEMBL4458122 0.88 CALML3 (0.42) FADS1GRM2CALML3HDAC1HDAC8
SCHEMBL4447345 0.75 GRM2 (0.38) FADS1GRM2
SCHEMBL4474713 0.74 PDE3B (0.39) PDE3BPDE3A
SCHEMBL4445382 0.74 DHODH (0.46) GRM2PTPRCPTPN1
SCHEMBL4469782 0.74 ROCK2 (0.37) FADS1GRM2
SCHEMBL4472187 0.73 GRM2 (0.36) FADS1GRM2PDE3BPDE3A
SCHEMBL4455582 0.72 TNKS (0.39) GRM2HDAC8HDAC6
SCHEMBL4444398 0.72 PDE3B (0.38) GRM2PDE3BPDE3APTPRCPTPN1
SCHEMBL4460627 0.72 ALDH1A1 (0.43) GRM2PTPRC
SCHEMBL4445293 0.71 ALDH1A1 (0.42) HDAC6

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 FADS1 1938/4885GRM2 4432/4885PDE3B 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.