SCHEMBL1971664

SCHEMBL1971664

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 13/20 0.48
FPR2 P25090 7/20 0.48
PDE4B Q07343 3/20 0.47
RORC P51449 1/20 0.44
CNR1 P21554 1/20 0.42
MC4R P32245 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL2219647 1.00 FPR1 (0.48) FPR1FPR2PDE4BRORCCNR1
SCHEMBL1973522 0.93 PDE4B (0.45) FPR1FPR2PDE4BRORCUSP30
SCHEMBL1968060 0.86 RORC (0.45) FPR1FPR2PDE4BRORCMC4R
SCHEMBL15397529 0.84 FPR1 (0.53) FPR1FPR2CNR1
SCHEMBL15397561 0.84 FPR1 (0.53) FPR1FPR2CNR1
SCHEMBL30693214 0.81 TACR1 (0.49) FPR1FPR2RORCMC4R
SCHEMBL1969849 0.81 TACR1 (0.49) FPR1FPR2RORCMC4R
SCHEMBL1972035 0.81 USP30 (0.48) FPR1FPR2PDE4BRORCUSP30
SCHEMBL1972466 0.81 TACR1 (0.49) FPR1FPR2PDE4BRORC
SCHEMBL1968872 0.81 TACR1 (0.49) FPR1FPR2PDE4BRORC

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 FPR1 76/4885FPR2 89/4885PDE4B 3803/4885

“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.