SCHEMBL502856

SCHEMBL502856

CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)NCc3ccc(F)cc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL502857 1.00 NAMPT (0.46) NAMPTALDH1A1POLBRAB9ANPC1
SCHEMBL503088 0.86 RAB9A (0.52) NAMPTALDH1A1POLBRAB9ANPC1
SCHEMBL30373982 0.84 RORC (0.44) POLBKMT2ASMN1; SMN2
SCHEMBL29538087 0.81 MAPT (0.54) NAMPT
SCHEMBL12609789 0.80 HTT (0.46) KMT2ASMN1; SMN2
SCHEMBL12609787 0.80 HTT (0.46) KMT2ASMN1; SMN2
SCHEMBL6917552 0.78 NAMPT (0.45) NAMPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL25489259 0.78 NAMPT (0.43) NAMPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1990308 0.77 SMN1; SMN2 (0.42) NAMPTSMN1; SMN2
SCHEMBL1990310 0.77 SMN1; SMN2 (0.42) NAMPTSMN1; SMN2

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 NAMPT 1784/4885ALDH1A1 271/4885POLB 3977/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R NAMPT 1784/4885ALDH1A1 271/4885POLB 3977/4885

“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.