SCHEMBL4153111

SCHEMBL4153111

O=C(N[C@@H]1CCN(C(=O)O)C[C@H]1c1ccc(Br)cc1)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 6/20 0.40
F2R P25116 3/20 0.40
CCR2 P41597 2/20 0.39
NOTUM Q6P988 1/20 0.38
XPO1 O14980 2/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL4153109 1.00 SPTLC2 (0.40) SPTLC2F2RCCR2NOTUMXPO1
SCHEMBL4162644 0.96 SPTLC2 (0.41) SPTLC2F2RCCR2XPO1KDM1A
SCHEMBL4162645 0.96 SPTLC2 (0.41) SPTLC2F2RCCR2XPO1KDM1A
SCHEMBL4144356 0.94 KCNH2 (0.41) SPTLC2F2R
SCHEMBL4144354 0.94 KCNH2 (0.41) SPTLC2F2R
SCHEMBL4150202 0.94 SPTLC2 (0.45) SPTLC2F2RCCR2EPHX2
SCHEMBL4150200 0.94 SPTLC2 (0.45) SPTLC2F2RCCR2EPHX2
SCHEMBL4144284 0.93 RHOC (0.43) SPTLC2F2RCCR2
SCHEMBL4148357 0.93 SPTLC2 (0.40) SPTLC2F2RCCR2NOTUMTAS1R3
SCHEMBL4144283 0.93 RHOC (0.43) SPTLC2F2RCCR2

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 3640/4885F2R 298/4885CCR2 255/4885

“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.