SCHEMBL4649677

SCHEMBL4649677

O=C(NC1C2CCC1CN(Cc1ccc3c(c1)OCO3)C2)C1Cc2ccccc2CN1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
MCHR1 Q99705 8/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
FAAH O00519 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
KCNH2 Q12809 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
SCHEMBL4649174 0.91 TSHR (0.42) SIGMAR1MCHR1TSHRALDH1A1LMNA
SCHEMBL4650499 0.85 KMT2A (0.51) DRD2DRD4
SCHEMBL4649360 0.81 SIGMAR1 (0.48) SIGMAR1MCHR1TSHRALDH1A1LMNA
SCHEMBL4649247 0.79 SIGMAR1 (0.44) SIGMAR1MCHR1TSHRALDH1A1LMNA
SCHEMBL4648634 0.79 CHRM2 (0.40) DRD2KCNH2
SCHEMBL4803652 0.77 PTPN1 (0.42) SIGMAR1MCHR1TSHRALDH1A1LMNA
SCHEMBL13074367 0.77 MEN1 (0.59) TSHRALDH1A1LMNAFAAH
SCHEMBL13037186 0.77 MEN1 (0.59) TSHRALDH1A1LMNAFAAH
SCHEMBL4649730 0.72 NAMPT (0.42) SIGMAR1TSHRALDH1A1
SCHEMBL14002084 0.69 SIGMAR1 (0.57) SIGMAR1DRD2DRD4KCNH2

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-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US claimed
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 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 (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-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 SIGMAR1 366/4885MCHR1 79/4885TSHR 135/4885

“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.