SCHEMBL1968280

SCHEMBL1968280

Cc1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(F)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.46
TACR1 P25103 12/20 0.45
PDE4B Q07343 2/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KDR P35968 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
SCHEMBL30693187 1.00 RORC (0.46) RORCTACR1PDE4BFPR1FPR2
SCHEMBL30693163 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1970588 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL30693160 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1968872 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1972466 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1966861 0.90 RORC (0.45) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1968060 0.90 RORC (0.45) RORCTACR1PDE4BFPR1FPR2
SCHEMBL15397487 0.88 TACR1 (0.43) TACR1FPR1FPR2KDR
SCHEMBL1968672 0.87 TACR1 (0.49) RORCTACR1FPR1FPR2HDAC1

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-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 RORC 3261/4885TACR1 13/4885PDE4B 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.