SCHEMBL6795295

SCHEMBL6795295

NCCOc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
LMNA P02545 3/20 0.75
NPY1R P25929 1/20 0.75
NPY2R P49146 1/20 0.75
KMT2A Q03164 1/20 0.70
HRH3 Q9Y5N1 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.54
PDE3B Q13370 8/20 0.48
PDE3A Q14432 8/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7306239 0.93 LMNA (0.78) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL8116038 0.92 LMNA (0.76) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10967326 0.86 LMNA (1.00) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10970095 0.86 MAPT (1.00) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL1373314 0.86 LMNA (0.80) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7280593 0.86 MAPT (0.75) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10370953 0.84 MAPT (0.78) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7294654 0.84 MAPT (0.54) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10968693 0.82 MAPT (0.79) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10963833 0.82 MAPT (1.00) MAPTLMNANPY1RNPY2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 MAPT 4036/4885LMNA 1468/4885NPY1R 20/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 MAPT 4459/4885LMNA 1800/4885NPY1R 39/4885

“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.