SCHEMBL1969431

SCHEMBL1969431

CC(C)(C)N[C@H]1CN(C(=O)O)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
RORC P51449 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SSTR4 P31391 1/20 0.37

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
SCHEMBL1972533 1.00 TLR2 (0.43) TLR2TLR1RORCKDM1AMAOA
SCHEMBL18315842 0.87 RORC (0.46) TLR2TLR1RORCKDM1AMAOB
SCHEMBL1971299 0.86 TLR2 (0.43) TLR2TLR1RORCKDM1AMAOB
SCHEMBL1968860 0.86 TLR2 (0.43) TLR2TLR1RORCKDM1AMAOB
SCHEMBL1968102 0.86 SLC6A4 (0.43)
SCHEMBL1971251 0.86 SLC6A4 (0.43)
SCHEMBL1974159 0.83 KDM1A (0.40) RORCKDM1A
SCHEMBL2247004 0.76 FPR1 (0.45) TLR2TLR1RORCKDM1AMAOA
SCHEMBL20262220 0.76 RORC (0.44) RORCKDM1AMAOAMAOB
SCHEMBL1968455 0.75 STS (0.36) KDM1AMAOAMAOB

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 TLR2 504/4885TLR1 827/4885RORC 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.