SCHEMBL829166

SCHEMBL829166

CC(C)(C)OC(=O)N1CCC(OC(=O)Nc2ccccc2C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
CHRM3 P20309 3/20 0.45
GPR119 Q8TDV5 3/20 0.45
EPHX1 P07099 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5259375 0.85 CHRM3 (0.50) CHRM3
SCHEMBL7673219 0.85 NAMPT (0.53) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL828713 0.83 CHRM3 (0.51) NAMPTCHRM3GPR119PTPN2PTPN1
SCHEMBL6682953 0.83 TGFBR1 (0.53) CHRM3GPR119PTPN2PTPN1PTPN6
SCHEMBL2930032 0.82 HSD17B10 (0.43) KDM4EKDM1ALMNA
SCHEMBL8333919 0.81 GPR119 (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL7670250 0.81 NAMPT (0.54) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL24906656 0.81 CHRM3 (0.70) CHRM3
SCHEMBL7667690 0.79 NAMPT (0.52) NAMPTGPR119EPHX1PTPN2PTPN1
SCHEMBL6608352 0.78 NAMPT (0.51) NAMPTGPR119PTPN2PTPN1PTPN6

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-8143277-B2 Method of using compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-27 US disclosed
US-20090239904-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2009-09-24 US disclosed
US-7569586-B2 Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20060035933-A1 Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2006-02-16 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 (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-20060035933-A1 Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB1, ADRA1B NAMPT 4293/4885CHRM3 12/4885GPR119 207/4885
US-20090239904-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRA2B, ADRB2, ADRB1 NAMPT 4259/4885CHRM3 12/4885GPR119 221/4885

“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.