SCHEMBL4149002

SCHEMBL4149002

O=C(N[C@@H]1CCN(C(=O)O)C[C@H]1c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
SLC6A3 Q01959 2/20 0.46
SPTLC2 O15270 6/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
NOTUM Q6P988 3/20 0.39
GRIN2B Q13224 1/20 0.39
SSTR3 P32745 2/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL4148999 1.00 HSD11B1 (0.52) HSD11B1SLC6A3SPTLC2TAS1R3TAS1R1
SCHEMBL4153629 0.93 SPTLC2 (0.44) HSD11B1SLC6A3SPTLC2TAS1R3TAS1R1
SCHEMBL4153631 0.93 SPTLC2 (0.44) HSD11B1SLC6A3SPTLC2TAS1R3TAS1R1
SCHEMBL4149587 0.90 TAS1R3 (0.52) HSD11B1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL4149585 0.90 TAS1R3 (0.52) HSD11B1SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL13814608 0.88 HSD11B1 (0.48) HSD11B1SLC6A3SPTLC2TAS1R3TAS1R1
SCHEMBL13801630 0.88 HSD11B1 (0.48) HSD11B1SLC6A3SPTLC2TAS1R3TAS1R1
SCHEMBL4148291 0.88 TAS1R3 (0.51) SPTLC2TAS1R3TAS1R1TAS1R2NOTUM
SCHEMBL4148294 0.88 TAS1R3 (0.51) SPTLC2TAS1R3TAS1R1TAS1R2NOTUM
SCHEMBL4157133 0.85 SSTR3 (0.49) HSD11B1SPTLC2TAS1R3TAS1R2SSTR3

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 HSD11B1 1023/4885SLC6A3 324/4885SPTLC2 3640/4885

“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.