SCHEMBL1973928

SCHEMBL1973928

Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.49
STS P08842 1/20 0.44
RORC P51449 1/20 0.44
CXCR3 P49682 2/20 0.43
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
EPHX2 P34913 1/20 0.41
FPR2 P25090 4/20 0.41
FPR1 P21462 1/20 0.41
USP30 Q70CQ3 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL1968682 0.95 TACR1 (0.51) TACR1STSRORCCXCR3EPHX2
SCHEMBL30693172 0.95 TACR1 (0.51) TACR1STSRORCCXCR3EPHX2
SCHEMBL30693171 0.93 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL1969544 0.93 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL1968672 0.93 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL30693218 0.93 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL1969849 0.92 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL30693214 0.92 TACR1 (0.49) TACR1STSRORCCXCR3UBE2M
SCHEMBL1974192 0.92 TACR1 (0.59) TACR1STSRORCCXCR3UBE2M
SCHEMBL1970583 0.89 TACR1 (0.44) TACR1STSRORCCXCR3UBE2M

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 TACR1 13/4885STS 2213/4885RORC 3261/4885

“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.