SCHEMBL4153321

SCHEMBL4153321

O=C(N[C@@H]1CCN(C(=O)O)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 6/20 0.48
TACR1 P25103 6/20 0.46
EPHX2 P34913 2/20 0.45
F2R P25116 1/20 0.45
CCR2 P41597 3/20 0.44
SMYD3 Q9H7B4 2/20 0.44

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
SCHEMBL4150202 0.93 SPTLC2 (0.45) SPTLC2TACR1EPHX2F2RCCR2
SCHEMBL4150200 0.93 SPTLC2 (0.45) SPTLC2TACR1EPHX2F2RCCR2
SCHEMBL4141820 0.92 KCNH2 (0.46) TACR1
SCHEMBL4141816 0.92 KCNH2 (0.46) TACR1
SCHEMBL4163877 0.91 RHOC (0.49) SPTLC2F2RCCR2
SCHEMBL4162645 0.91 SPTLC2 (0.41) SPTLC2TACR1F2RCCR2
SCHEMBL4154345 0.91 TACR1 (0.44) SPTLC2TACR1F2RCCR2
SCHEMBL4163875 0.91 RHOC (0.49) SPTLC2F2RCCR2
SCHEMBL4154346 0.91 TACR1 (0.44) SPTLC2TACR1F2RCCR2
SCHEMBL4162644 0.91 SPTLC2 (0.41) SPTLC2TACR1F2RCCR2

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 3640/4885TACR1 9/4885EPHX2 931/4885

“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.