SCHEMBL1972035

SCHEMBL1972035

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2cc(Br)cc(Br)c2)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
PDE4B Q07343 3/20 0.45
FPR2 P25090 8/20 0.45
RORC P51449 3/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
FPR1 P21462 1/20 0.40
NTRK1 P04629 1/20 0.40
S1PR2 O95136 1/20 0.39
FPR3 P25089 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
SCHEMBL1966861 0.93 RORC (0.45) USP30PDE4BFPR2RORCHDAC1
SCHEMBL1973522 0.89 PDE4B (0.45) USP30PDE4BFPR2RORCHDAC1
SCHEMBL1970588 0.88 TACR1 (0.49) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL1972466 0.88 TACR1 (0.49) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL30693163 0.88 TACR1 (0.49) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL30693160 0.88 TACR1 (0.49) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL1968872 0.88 TACR1 (0.49) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL15397592 0.85 FPR2 (0.41) FPR2FPR1
SCHEMBL1968280 0.84 RORC (0.46) PDE4BFPR2RORCHDAC1HDAC2
SCHEMBL30693187 0.84 RORC (0.46) PDE4BFPR2RORCHDAC1HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B USP30 4000/4885PDE4B 3803/4885FPR2 89/4885

“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.