SCHEMBL4478771

SCHEMBL4478771

CN(CCC(C)(C)O)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
PRMT8 Q9NR22 1/20 0.56
SIGMAR1 Q99720 2/20 0.51
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
FDPS P14324 2/20 0.46
MAOB P27338 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
PYCR1 P32322 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
BLM P54132 1/20 0.44
AOC3 Q16853 1/20 0.44
RIPK1 Q13546 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL21991112 0.88 SIGMAR1 (0.60) CARM1PRMT6PRMT8SIGMAR1MAOB
SCHEMBL9261309 0.87 SIGMAR1 (0.47) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL16247246 0.85 CARM1 (0.60) CARM1PRMT6PRMT8SIGMAR1TSHR
SCHEMBL27376506 0.85 CARM1 (0.45) CARM1PRMT6PRMT8SIGMAR1TSHR
SCHEMBL15269721 0.83 MEN1 (0.44) SIGMAR1TSHRALDH1A1AOC3RIPK1
SCHEMBL7057713 0.82 CARM1 (0.53) CARM1PRMT6PRMT8SIGMAR1TSHR
SCHEMBL16039984 0.81 CARM1 (0.51) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL11112967 0.80 SMN1; SMN2 (0.60) CARM1PRMT6PRMT8SIGMAR1TSHR
SCHEMBL7055109 0.80 CARM1 (0.75) CARM1PRMT6PRMT8SIGMAR1TSHR
SCHEMBL10287670 0.79 BCHE (0.48) SIGMAR1TSHRFDPSMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182010-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-16 US disclosed
US-7528253-B2 Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-05-05 US disclosed
EP-1778626-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance, Inc. (US) 2007-05-02 EP disclosed
US-20060116398-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-01 US disclosed
WO-2006023457-A1 COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2006-03-02 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-20090182010-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRB2, ADRA2B, ADRA2A CARM1 1194/4885PRMT6 1196/4885PRMT8 952/4885
US-20060116398-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB2, ADRA2B, ADRB1 CARM1 1283/4885PRMT6 1374/4885PRMT8 1163/4885

“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.