SCHEMBL4481787

SCHEMBL4481787

O=C(NC12CC1CN(Cc1ccccc1)C2)C(CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.39
BACE1 P56817 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AGTR2 P50052 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TACR1 P25103 2/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
CTSK P43235 1/20 0.35
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL4481788 1.00 ATM (0.40) ATMKDM4EBACE1SCN5ASCN9A
SCHEMBL9177398 0.80 CYP2D6 (0.42) KDM4EMEN1KMT2AALDH1A1S1PR1
SCHEMBL17512704 0.78 S1PR1 (0.43) S1PR1S1PR5EPHX1EPHX2
SCHEMBL9838655 0.78 ALDH1A1 (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9185084 0.76 CTSK (0.40) KDM4EBACE1MEN1KMT2AALDH1A1
SCHEMBL4466104 0.75 CHRM3 (0.43) ALDH1A1S1PR1S1PR5ARG1ARG2
SCHEMBL9185202 0.74 KMT2A (0.46) KDM4EMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL9182347 0.73 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1
SCHEMBL18428237 0.70 SIGMAR1 (0.45) KDM4EMEN1KMT2AALDH1A1S1PR1
SCHEMBL4200481 0.70 GRIN2B (0.43) ATMBACE1SCN5ASCN9AAGTR2

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 2 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

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 ATM 3937/4885KDM4E 2238/4885BACE1 2054/4885

“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.