SCHEMBL7868616

SCHEMBL7868616

CC(C)NCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP2D6 P10635 1/20 0.58
ADRB3 P13945 1/20 0.58
LMNA P02545 1/20 0.50
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
KCNA3 P22001 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL7897828 0.79 SIGMAR1 (0.67) ADRB2ADRB1CYP2D6ADRB3SIGMAR1
SCHEMBL12890239 0.79 MTNR1A (0.51) LMNAMTNR1AMTNR1B
SCHEMBL13588393 0.75 MAOA (0.47) ADRB2ADRB1CYP2D6ADRB3LMNA
SCHEMBL11895736 0.75 HTR1B (0.61) LMNAMAOAPTGS1HTR1BHTR1D
SCHEMBL503153 0.74 KCNA3 (0.55) MAOAPTGS1HTR1BHTR1DKCNA3
SCHEMBL12890254 0.74 CA12 (0.50) ADRB2ADRB1LMNAHTR1BMTNR1A
SCHEMBL8266174 0.74 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL7367812 0.74 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10331311 0.72 RAB9A (0.45) ADRB2ADRB1CYP2D6ADRB3LMNA
Hydrochloric Acid SCHEMBL10872169 0.72 ADRB2 (0.97) ADRB2ADRB1CYP2D6ADRB3PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 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 (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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADRB2 495/4885ADRB1 477/4885CYP2D6 1629/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADRB2 495/4885ADRB1 477/4885CYP2D6 1629/4885

“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.