SCHEMBL4165448

SCHEMBL4165448

Cc1ccc([C@@H]2CN(C(=O)O)CC[C@H]2NC(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPTLC2 O15270 6/20 0.37
▸ F2R P25116 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ TAC3 Q9UHF0 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34

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
SCHEMBL4165445 1.00 SPTLC2 (0.37) SPTLC2F2RRAF1BRAFNOTUM
SCHEMBL4153290 0.94 SPTLC2 (0.39) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL4153288 0.94 SPTLC2 (0.39) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL4153598 0.93 UBE2M (0.38) SPTLC2F2RRAF1BRAFNOTUM
SCHEMBL4153602 0.93 UBE2M (0.38) SPTLC2F2RRAF1BRAFNOTUM
SCHEMBL4148360 0.89 SPTLC2 (0.40) SPTLC2F2RNOTUMCCR2TAS1R3
SCHEMBL4148357 0.89 SPTLC2 (0.40) SPTLC2F2RNOTUMCCR2TAS1R3
SCHEMBL13814683 0.89 USP30 (0.43) TACR1
SCHEMBL13801588 0.89 USP30 (0.43) TACR1
SCHEMBL4146084 0.89 SPTLC2 (0.41) SPTLC2F2RNOTUMCCR2TACR2

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 298/4885RAF1 2410/4885

“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.

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