SCHEMBL4153226

SCHEMBL4153226

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.51
TACR1 P25103 9/20 0.51
TAC3 Q9UHF0 1/20 0.45
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
SPTLC2 O15270 6/20 0.43
TACR3 P29371 2/20 0.42
F2R P25116 1/20 0.42
F10 P00742 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4151135 0.93 TACR1 (0.51) TACR2TACR1TAC3SPTLC2TACR3
SCHEMBL4149557 0.93 TACR1 (0.51) TACR2TACR1TAC3SPTLC2TACR3
SCHEMBL4151130 0.93 TACR1 (0.51) TACR2TACR1TAC3SPTLC2TACR3
SCHEMBL4157133 0.90 SSTR3 (0.49) TACR2TACR1DRD4DRD2SPTLC2
SCHEMBL4157136 0.90 SSTR3 (0.49) TACR2TACR1DRD4DRD2SPTLC2
SCHEMBL4141880 0.90 CHRNA7 (0.48) TACR2TACR1TAC3DRD4DRD2
SCHEMBL4153336 0.90 CHRNA7 (0.48) TACR2TACR1TAC3DRD4DRD2
SCHEMBL4149849 0.90 CHRNA7 (0.48) TACR2TACR1TAC3DRD4DRD2
SCHEMBL4149658 0.90 F2R (0.48) DRD4DRD2SPTLC2F2R
SCHEMBL4149659 0.90 F2R (0.48) DRD4DRD2SPTLC2F2R

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 TACR2 19/4885TACR1 9/4885TAC3 47/4885

“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.