SCHEMBL503192

SCHEMBL503192

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(NC(=O)c3ccc(Cl)cn3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
TP53 P04637 4/20 0.54
THRB P10828 1/20 0.54
NR3C1 P04150 3/20 0.53
NAMPT P43490 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.49
USP30 Q70CQ3 2/20 0.49
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47

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
SCHEMBL503191 1.00 MAPT (0.54) MAPTTP53THRBNR3C1NAMPT
SCHEMBL503023 0.88 RAB9A (0.50) MAPTTP53THRBNR3C1NAMPT
SCHEMBL503022 0.88 RAB9A (0.50) MAPTTP53THRBNR3C1NAMPT
SCHEMBL502898 0.87 TP53 (0.59) MAPTTP53THRBNR3C1NAMPT
SCHEMBL502899 0.87 TP53 (0.59) MAPTTP53THRBNR3C1NAMPT
SCHEMBL27904316 0.83 SLC6A3 (0.47) MAPTTP53SMN1; SMN2LMNANPC1
SCHEMBL22988918 0.83 PDE4B (0.58) MAPTTP53NAMPTSMN1; SMN2MEN1
SCHEMBL12279642 0.83 PDE4B (0.58) MAPTTP53NAMPTSMN1; SMN2MEN1
SCHEMBL31598717 0.82 USP30 (0.52) MAPTTP53NAMPTSMN1; SMN2MEN1
SCHEMBL18741911 0.80 MEN1 (0.52) MAPTTP53THRBSMN1; SMN2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 US 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 (2 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R MAPT 703/4885TP53 4796/4885THRB 155/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R MAPT 703/4885TP53 4796/4885THRB 155/4885

“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.