SCHEMBL4144763

SCHEMBL4144763

Cc1cc([C@@H]2CN(C(=O)O)CC[C@H]2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPTLC2 O15270 6/20 0.39
▸ F2R P25116 2/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ TACR1 P25103 3/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ TAC3 Q9UHF0 1/20 0.38
▸ RHOC P08134 3/20 0.38
▸ RHOA P61586 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37

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
SCHEMBL4144757 1.00 SPTLC2 (0.39) SPTLC2F2RUBE2MDCUN1D1TACR1
SCHEMBL4153602 0.94 UBE2M (0.38) SPTLC2F2RUBE2MDCUN1D1TACR1
SCHEMBL4153598 0.94 UBE2M (0.38) SPTLC2F2RUBE2MDCUN1D1TACR1
SCHEMBL4153288 0.93 SPTLC2 (0.39) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4153290 0.93 SPTLC2 (0.39) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4164123 0.91 RHOC (0.41) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4164119 0.91 RHOC (0.41) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4141463 0.90 TACR2 (0.45) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4141465 0.90 TACR2 (0.45) SPTLC2F2RTACR1TACR2TAC3
SCHEMBL4144390 0.89 TACR2 (0.46) SPTLC2F2RTACR1TACR2TAC3

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 298/4885UBE2M 1873/4885

“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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