SCHEMBL1974693

SCHEMBL1974693

CC(C)(C)OC(=O)N1CC[C@@H](NCCN(C(=O)OC(C)(C)C)c2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
TACR3 P29371 1/20 0.40
TACR1 P25103 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
STS P08842 1/20 0.38
USP30 Q70CQ3 5/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
PDE4B Q07343 2/20 0.37
RORC P51449 1/20 0.37
TACR2 P21452 1/20 0.36
TAC3 Q9UHF0 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL30693198 1.00 PTPRB (0.41) PTPRBPTPN11TACR3TACR1MEN1
SCHEMBL15397603 0.94 TACR1 (0.37) PTPRBPTPN11TACR3TACR1MEN1
SCHEMBL1969394 0.85 TACR1 (0.44) TACR3TACR1STSUSP30JAK2
SCHEMBL1974696 0.81 PTPRB (0.33) PTPRBPTPN11
SCHEMBL13801243 0.79 USP30 (0.50) MEN1KMT2ASTSUSP30KDM4E
SCHEMBL13814633 0.79 USP30 (0.50) MEN1KMT2ASTSUSP30KDM4E
SCHEMBL1972615 0.75 PDE4B (0.42) TACR3TACR1STSUSP30PDE4B
SCHEMBL30693149 0.75 PDE4B (0.42) TACR3TACR1STSUSP30PDE4B
SCHEMBL1970998 0.75 PDE4B (0.44) TACR3TACR1STSPDE4BRORC
SCHEMBL30693130 0.75 PDE4B (0.44) TACR3TACR1STSPDE4BRORC

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 PTPRB 3735/4885PTPN11 1915/4885TACR3 82/4885

“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.