SCHEMBL17038564

SCHEMBL17038564

O=C(NCCNCCC(O)COc1ccc(O)cc1)N1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 6/20 0.82
▸ ADRB3 P13945 5/20 0.82
▸ LMNA P02545 2/20 0.82
▸ ADRB2 P07550 2/20 0.82
▸ NFKB1 P19838 1/20 0.82
▸ HIF1A Q16665 1/20 0.82
▸ HSD17B10 Q99714 1/20 0.82
▸ NR1I2 O75469 1/20 0.82
▸ PTGS2 P35354 1/20 0.82
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ MAPT P10636 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ PCNA P12004 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Xamoterol SCHEMBL64461 0.90 ADRB1 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL11533496 0.90 ADRB1 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL30897538 0.90 ADRB1 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL3702016 0.89 ADRB1 (0.98) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL3697718 0.89 ADRB1 (0.98) ADRB1ADRB3LMNAADRB2NFKB1
SCHEMBL17038563 0.89 LMNA (0.66) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL10584728 0.85 ADRB2 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL122201 0.85 ADRB2 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL3695282 0.85 ADRB2 (1.00) ADRB1ADRB3LMNAADRB2NFKB1
Xamoterol SCHEMBL1651584 0.85 ADRB2 (1.00) ADRB1ADRB3LMNAADRB2NFKB1

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
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 — — US disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 — — US disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 — — WO 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-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR ADRA1B, ADRB1, ADRA1A ADRB1 2/4885ADRB3 9/4885LMNA 1438/4885

“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.

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