SCHEMBL4248205

SCHEMBL4248205

O=C(Cc1ccc(-c2ccccc2)cc1)NCC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.55
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
FAAH O00519 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SIGMAR1 Q99720 9/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AIMP2 Q13155 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL4245976 0.85 DRD2 (0.58) BCHEDRD2DRD4
SCHEMBL4189224 0.82 GRIN2B (0.48) SIGMAR1KMT2ADRD2DRD4
SCHEMBL4237299 0.78 CHRNB2 (0.54) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4245945 0.77 USP30 (0.54)
SCHEMBL13875520 0.75 CHRM3 (0.46)
SCHEMBL4250549 0.75 FAAH (0.50) FAAHBCHEACHE
SCHEMBL4241623 0.74 BCHE (0.60) ALDH1A1LMNAFAAHBCHEACHE
SCHEMBL4200481 0.74 GRIN2B (0.43) BACE1
SCHEMBL4242462 0.74 DRD2 (0.43) DRD2DRD4
SCHEMBL4189388 0.74 GRIN2B (0.43) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 BACE1 3763/4885ALDH1A1 1806/4885LMNA 3515/4885

“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.