SCHEMBL4153314

SCHEMBL4153314

O=C(N[C@@H]1CCN(C(=O)O)C[C@H]1c1cccc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 6/20 0.45
RHOC P08134 4/20 0.42
RHOA P61586 4/20 0.42
CCR2 P41597 6/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MGLL Q99685 1/20 0.40
EPHX2 P34913 1/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL4153309 1.00 SPTLC2 (0.45) SPTLC2RHOCRHOACCR2TAS1R3
SCHEMBL4157818 0.90 RHOC (0.43) SPTLC2RHOCRHOAF2R
SCHEMBL4157819 0.90 RHOC (0.43) SPTLC2RHOCRHOAF2R
SCHEMBL4153321 0.90 SPTLC2 (0.48) SPTLC2CCR2EPHX2F2R
SCHEMBL4163877 0.89 RHOC (0.49) SPTLC2RHOCRHOACCR2MGLL
SCHEMBL4163875 0.89 RHOC (0.49) SPTLC2RHOCRHOACCR2MGLL
SCHEMBL13814607 0.87 TACR1 (0.50) SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL13801624 0.87 TACR1 (0.50) SPTLC2TAS1R3TAS1R1TAS1R2
SCHEMBL4149557 0.87 TACR1 (0.51) SPTLC2RHOCRHOAF2R
SCHEMBL4151130 0.87 TACR1 (0.51) SPTLC2RHOCRHOAF2R

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 SPTLC2 3640/4885RHOC 3633/4885RHOA 2966/4885

“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.