SCHEMBL4241232

SCHEMBL4241232

O=C(NCC1C2CN(Cc3ccccc3)CC12)Oc1ccccc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
SIGMAR1 Q99720 2/20 0.40
S1PR5 Q9H228 3/20 0.39
S1PR1 P21453 2/20 0.39
HRH1 P35367 4/20 0.39
MAOB P27338 3/20 0.39
ACHE P22303 3/20 0.39
FAAH O00519 1/20 0.39
FUCA1 P04066 2/20 0.37
NPY5R Q15761 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4250544 0.89 BCHE (0.42) BCHESIGMAR1HRH1MAOBACHE
SCHEMBL4241235 0.84 FAAH (0.49) BCHES1PR5S1PR1ACHEFAAH
SCHEMBL1014404 0.78 S1PR5 (0.50) SIGMAR1S1PR5S1PR1FAAHFUCA1
SCHEMBL8222010 0.77 NPFFR1 (0.49) BCHESIGMAR1S1PR5S1PR1DRD2
SCHEMBL4250549 0.73 FAAH (0.50) BCHES1PR5ACHEFAAH
SCHEMBL5434868 0.71 FUCA1 (0.49) BCHESIGMAR1S1PR5S1PR1ACHE
SCHEMBL5105568 0.71 CHRM3 (0.46) S1PR5S1PR1FUCA1NPY5R
SCHEMBL5105573 0.71 CHRM3 (0.46) S1PR5S1PR1FUCA1NPY5R
SCHEMBL19971612 0.70 BCHE (0.51) BCHES1PR5S1PR1MAOBACHE
SCHEMBL19971611 0.70 BCHE (0.51) BCHES1PR5S1PR1MAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 BCHE 258/4885SIGMAR1 317/4885S1PR5 333/4885

“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.