SCHEMBL1911513

SCHEMBL1911513

CC(C)C(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
NPSR1 Q6W5P4 3/20 0.65
HTT P42858 2/20 0.65
MAPK1 P28482 2/20 0.63
TSHR P16473 4/20 0.62
POLB P06746 1/20 0.61
LMNA P02545 3/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.57

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
SCHEMBL16026437 0.87 ALDH1A1 (0.83) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL14443021 0.84 ALDH1A1 (0.68) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL1372147 0.82 CYP1A2 (0.75) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL13804475 0.82 ALDH1A1 (0.71) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL10076137 0.81 ALDH1A1 (0.66) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL26814573 0.81 MAPT (0.51) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL17207529 0.81 CYP2D6 (0.79) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL1372144 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL3099181 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL4721495 0.80 ALDH1A1 (0.67) ALDH1A1NPSR1HTTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALDH1A1 480/4885NPSR1 2153/4885HTT 3260/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885NPSR1 2153/4885HTT 3260/4885

“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.