SCHEMBL4883207

SCHEMBL4883207

O=C(CN1CCCN(CCc2ccc3c(c2)OCO3)CC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
TSHR P16473 2/20 0.47
FAAH O00519 1/20 0.47
CHRM3 P20309 1/20 0.45
CYP2J2 P51589 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL4885842 0.88 CHRM3 (0.57) ADRA1DADRA1AADRA1BCHRM3CYP2J2
SCHEMBL4885835 0.80 ADRA1D (0.48) ADRA1DADRA1AADRA1BTSHRFAAH
SCHEMBL11698547 0.76 DPP7 (0.67) ADRA1DADRA1AADRA1B
SCHEMBL20689718 0.76 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL5774489 0.76 TSHR (0.57) ADRA1DADRA1AADRA1BTSHRFAAH
SCHEMBL4886415 0.76 CHRM3 (0.53) ADRA1DADRA1AADRA1BCHRM3CYP2J2
SCHEMBL8983764 0.76 CHRM3 (0.50) ADRA1DADRA1AADRA1BCHRM3CYP2J2
SCHEMBL5277053 0.76 ADRA1D (0.55) ADRA1DADRA1AADRA1BKDM4E
SCHEMBL11261146 0.75 DPP7 (0.65) ADRA1DADRA1AADRA1BKMT2A
SCHEMBL14003889 0.75 SIGMAR1 (0.60) ADRA1DADRA1AADRA1BTSHRCHRM3

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-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US claimed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 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 (1 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-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 ADRA1D 82/4885ADRA1A 70/4885ADRA1B 71/4885

“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.