SCHEMBL503088

SCHEMBL503088

O=C(NCc1ccc(F)cc1)Nc1ccc(C2CN(C(=O)O)CCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 1/20 0.52
MAOB P27338 1/20 0.52
NAMPT P43490 4/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.42

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 0.86 NAMPT (0.46) RAB9APOLBNPC1MAOBNAMPT
SCHEMBL502856 0.86 NAMPT (0.46) RAB9APOLBNPC1MAOBNAMPT
SCHEMBL3373269 0.82 MEN1 (0.49) RAB9ANPC1NAMPTKMT2AMEN1
SCHEMBL3372157 0.82 MEN1 (0.49) RAB9ANPC1NAMPTKMT2AMEN1
SCHEMBL3370271 0.82 MEN1 (0.49) RAB9ANPC1NAMPTKMT2AMEN1
SCHEMBL502765 0.78
SCHEMBL502764 0.78
SCHEMBL1995370 0.78 EPHX2 (0.55) EPHX2
Hydrochloric Acid SCHEMBL502829 0.77
Hydrochloric Acid SCHEMBL502828 0.77

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 RAB9A 1829/4885POLB 3977/4885NPC1 1329/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R RAB9A 1829/4885POLB 3977/4885NPC1 1329/4885

“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.