SCHEMBL4150259

SCHEMBL4150259

O=C(O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TACR1 P25103 10/20 0.41
TACR2 P21452 9/20 0.41
TAC3 Q9UHF0 3/20 0.41
TACR3 P29371 3/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
PGR P06401 1/20 0.39
SPTLC2 O15270 6/20 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
SCHEMBL4153692 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TACR1TACR2
SCHEMBL1970998 0.86 PDE4B (0.44) SLC6A2SLC6A4SLC6A3TACR1TACR2
SCHEMBL30693130 0.86 PDE4B (0.44) SLC6A2SLC6A4SLC6A3TACR1TACR2
SCHEMBL4153226 0.84 TACR2 (0.51) TACR1TACR2TAC3TACR3SPTLC2
SCHEMBL19893253 0.83 KDM1A (0.50) TACR1SPTLC2
SCHEMBL4151135 0.83 TACR1 (0.51) TACR1TACR2TAC3TACR3SPTLC2
SCHEMBL4151130 0.83 TACR1 (0.51) TACR1TACR2TAC3TACR3SPTLC2
SCHEMBL4149557 0.83 TACR1 (0.51) TACR1TACR2TAC3TACR3SPTLC2
SCHEMBL4157136 0.82 SSTR3 (0.49) TACR1TACR2SPTLC2
SCHEMBL4157133 0.82 SSTR3 (0.49) TACR1TACR2SPTLC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
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 SLC6A2 241/4885SLC6A4 271/4885SLC6A3 324/4885

“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.