SCHEMBL4487651

SCHEMBL4487651

O=C(O)C12CC1CN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
ARG1 P05089 1/20 0.46
ARG2 P78540 1/20 0.46
FUCA1 P04066 2/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
GRM6 O15303 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 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
SCHEMBL3259925 1.00 S1PR1 (0.47) S1PR1S1PR5ARG1ARG2FUCA1
SCHEMBL3228487 1.00 S1PR1 (0.47) S1PR1S1PR5ARG1ARG2FUCA1
Hydrochloric Acid SCHEMBL15312500 0.98 BCHE (0.46) S1PR1S1PR5ARG1ARG2FUCA1
SCHEMBL6007973 0.85 GRM2 (0.47) S1PR1S1PR5ARG1ARG2ACHE
SCHEMBL6007978 0.85 GRM2 (0.47) S1PR1S1PR5ARG1ARG2ACHE
SCHEMBL18428222 0.85 ARG1 (0.44) S1PR1S1PR5ARG1ARG2FUCA1
SCHEMBL15416062 0.85 CYP2D6 (0.44) S1PR1S1PR5BCHEACHEALDH1A1
SCHEMBL5455516 0.83 ALDH1A1 (0.43) S1PR1S1PR5ARG1ARG2FUCA1
SCHEMBL5650132 0.83 ALDH1A1 (0.43) S1PR1S1PR5ARG1ARG2FUCA1
SCHEMBL3228019 0.83 CYP3A4 (0.49) ALDH1A1MEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592359-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-09-22 US disclosed
US-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-12-13 US disclosed
EP-1615634-B1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2007-05-16 EP disclosed
EP-1615634-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-01-18 EP disclosed
WO-2004089363-A1 SUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 WO disclosed
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP 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-20070287732-A1 Substituted Azabicyclo Hexane Derivatives as Muscarinic Receptor Antagonists CHRM5, CHRM3, CHRM2 S1PR1 196/4885S1PR5 166/4885ARG1 3534/4885

“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.