SCHEMBL3369347

SCHEMBL3369347

CNC(=O)[C@H]1CC(=O)N(c2ccc(/C=C/c3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
POLB P06746 2/20 0.61
KMT2A Q03164 6/20 0.60
BLM P54132 1/20 0.60
ALOX12 P18054 1/20 0.59
MEN1 O00255 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL3369350 1.00 TSHR (0.67) TSHRMAPK1POLBKMT2ABLM
SCHEMBL3369343 1.00 TSHR (0.67) TSHRMAPK1POLBKMT2ABLM
SCHEMBL3368554 0.90 MAPK1 (0.60) TSHRMAPK1POLBKMT2ABLM
SCHEMBL3368562 0.90 MAPK1 (0.60) TSHRMAPK1POLBKMT2ABLM
SCHEMBL3368558 0.90 MAPK1 (0.60) TSHRMAPK1POLBKMT2ABLM
SCHEMBL3365905 0.88 TSHR (0.67) TSHRMAPK1POLBKMT2AMEN1
SCHEMBL3365907 0.88 TSHR (0.67) TSHRMAPK1POLBKMT2AMEN1
SCHEMBL3365901 0.88 TSHR (0.67) TSHRMAPK1POLBKMT2AMEN1
SCHEMBL3368521 0.86 TSHR (0.64) TSHRMAPK1POLBKMT2AMEN1
SCHEMBL3368528 0.86 TSHR (0.64) TSHRMAPK1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 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 (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-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO TSHR 2304/4885MAPK1 982/4885POLB 368/4885

“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.