SCHEMBL13596185

SCHEMBL13596185

CCCc1ccc(NCC(O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.71
ADRB1 P08588 4/20 0.53
ADRB3 P13945 2/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AOC3 Q16853 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL13072260 0.85 ADRB2 (0.68) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL2957367 0.84 ADRB2 (0.71) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL2957366 0.84 ADRB2 (0.71) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL2010668 0.84 ADRB2 (0.71) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL14505292 0.83 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4E
Bromide SCHEMBL3419252 0.83 ADRB2 (0.69) ADRB2ADRB1ADRB3KDM4EL3MBTL1
Bromide SCHEMBL3419254 0.83 ADRB2 (0.69) ADRB2ADRB1ADRB3KDM4EL3MBTL1
Bromide SCHEMBL5670599 0.83 ADRB2 (0.69) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL14030664 0.81 ADRB2 (0.84) ADRB2ADRB1ADRB3KDM4E
SCHEMBL13596180 0.81 ADRB2 (0.48) ADRB2

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-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ADRB3 5/4885
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 5/4885

“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.