SCHEMBL4453781

SCHEMBL4453781

CC1OC(=O)N(c2ccc(-c3cccc(F)c3)cc2F)C1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
TNKS2 Q9H2K2 1/20 0.39
PGR P06401 5/20 0.38
F2R P25116 3/20 0.38
TAAR1 Q96RJ0 2/20 0.36
ESR2 Q92731 1/20 0.36
NOTUM Q6P988 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
FADS1 O60427 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL4453785 0.74 GRM2 (0.46) GRM2TNKS2PGRF2RTAAR1
SCHEMBL4458122 0.68 CALML3 (0.42) GRM2FADS1MEN1KMT2A
SCHEMBL22222459 0.65 KMT2A (0.51) GRM2MEN1KMT2A
SCHEMBL257773 0.63 TNKS2 (0.56) TNKS2PGRTAAR1ESR2
SCHEMBL4444393 0.63 FADS1 (0.39) GRM2FADS1PDE3BPDE3A
SCHEMBL19665085 0.63 TAAR1 (0.59) TNKS2TAAR1ESR2NOTUM
SCHEMBL30068301 0.63 TAAR1 (0.59) TNKS2TAAR1ESR2NOTUM
SCHEMBL31147883 0.63 TAAR1 (0.59) TNKS2TAAR1ESR2NOTUM
SCHEMBL22771229 0.62 ADORA3 (0.35)
SCHEMBL198702 0.62 TAAR1 (0.68) TAAR1ESR2NOTUMMEN1KMT2A

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 GRM2 4432/4885TNKS2 3381/4885PGR 855/4885

“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.