SCHEMBL1969394

SCHEMBL1969394

CC(C)(C)OC(=O)N1CC[C@@H](NCCNc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
RORC P51449 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
STS P08842 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 4/20 0.41
TACR3 P29371 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.40
TGFBR1 P36897 1/20 0.40
PDE4B Q07343 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL15397635 0.87 LMNA (0.43) TACR1TACR3SLC6A2SLC6A4SLC6A3
SCHEMBL1974693 0.85 PTPRB (0.41) TACR1RORCSTSJAK2JAK1
SCHEMBL30693198 0.85 PTPRB (0.41) TACR1RORCSTSJAK2JAK1
SCHEMBL13814633 0.83 USP30 (0.50) RORCSTSUSP30KDM4EPKM
SCHEMBL13801243 0.83 USP30 (0.50) RORCSTSUSP30KDM4EPKM
SCHEMBL1970998 0.81 PDE4B (0.44) TACR1RORCGPR119STSTACR3
SCHEMBL30693130 0.81 PDE4B (0.44) TACR1RORCGPR119STSTACR3
SCHEMBL1972615 0.79 PDE4B (0.42) TACR1GPR119STSUSP30TACR3
SCHEMBL30693149 0.79 PDE4B (0.42) TACR1GPR119STSUSP30TACR3
SCHEMBL15397603 0.79 TACR1 (0.37) TACR1TACR3PDE4BSLC6A2SLC6A4

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 TACR1 13/4885RORC 3261/4885GPR119 197/4885

“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.