SCHEMBL17028372

SCHEMBL17028372

O=C(NCCNCC(O)COc1ccc(OCc2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.80
ADRB3 P13945 4/20 0.80
ADRB2 P07550 3/20 0.80
LMNA P02545 2/20 0.80
HSD17B10 Q99714 2/20 0.80
NFKB1 P19838 1/20 0.80
HIF1A Q16665 1/20 0.80
NR1I2 O75469 1/20 0.80
PTGS2 P35354 1/20 0.80
KMT2A Q03164 2/20 0.75
MAPT P10636 2/20 0.75
MEN1 O00255 1/20 0.75
BLM P54132 1/20 0.75
GAA P10253 1/20 0.58
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
DPP4 P27487 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL17028387 1.00 ADRB1 (0.80) ADRB1ADRB3ADRB2LMNAHSD17B10
SCHEMBL7444193 1.00 ADRB1 (0.80) ADRB1ADRB3ADRB2LMNAHSD17B10
Hydrochloric Acid SCHEMBL7438779 0.99 ADRB1 (0.78) ADRB1ADRB3ADRB2LMNAHSD17B10
SCHEMBL17038563 0.91 LMNA (0.66) ADRB1ADRB3ADRB2LMNAHSD17B10
SCHEMBL17882008 0.90 ADRB1 (0.64) ADRB1ADRB3ADRB2LMNAHSD17B10
SCHEMBL17882007 0.90 ADRB1 (0.64) ADRB1ADRB3ADRB2LMNAHSD17B10
Xamoterol SCHEMBL11533496 0.89 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNAHSD17B10
Xamoterol SCHEMBL30897538 0.89 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNAHSD17B10
Xamoterol SCHEMBL64461 0.89 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNAHSD17B10
Xamoterol SCHEMBL3702016 0.88 ADRB1 (0.98) ADRB1ADRB3ADRB2LMNAHSD17B10

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-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
EP-3122350-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) 2017-02-01 EP 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 9/4885ADRB2 7/4885

“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.