SCHEMBL4149658

SCHEMBL4149658

O=C(NC1CCN(C(=O)O)CC1c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.48
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
EPHX2 P34913 1/20 0.46
TEAD1 P28347 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.43
SPTLC2 O15270 6/20 0.42
HSD11B1 P28845 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL4149659 1.00 F2R (0.48) F2RDRD4DRD2EPHX2TEAD1
SCHEMBL4147621 0.94 MGLL (0.49) F2RDRD4DRD2EPHX2SPTLC2
SCHEMBL4147623 0.94 MGLL (0.49) F2RDRD4DRD2EPHX2SPTLC2
SCHEMBL4148957 0.90 F2R (0.47) F2RDRD4DRD2EPHX2MAOA
SCHEMBL4148954 0.90 F2R (0.47) F2RDRD4DRD2EPHX2MAOA
SCHEMBL4153226 0.90 TACR2 (0.51) F2RDRD4DRD2SPTLC2
SCHEMBL4141820 0.87 KCNH2 (0.46)
SCHEMBL4141816 0.87 KCNH2 (0.46)
SCHEMBL4153321 0.86 SPTLC2 (0.48) F2REPHX2SPTLC2
SCHEMBL4162645 0.86 SPTLC2 (0.41) F2RMAOASPTLC2

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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT F2R 298/4885DRD4 852/4885DRD2 260/4885

“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.