SCHEMBL4244057

SCHEMBL4244057

Cc1c(C2C3CCC2CN(Cc2ccccc2)C3)cccc1N(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.36
SCN1A P35498 2/20 0.35
SCN8A Q9UQD0 2/20 0.35
OPRM1 P35372 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
SCN4A P35499 2/20 0.32

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
SCHEMBL4238217 0.83 HTT (0.45) SIGMAR1KDM4EMEN1HTTKMT2A
SCHEMBL4240896 0.80 SIGMAR1 (0.40) GRIN2BSCN1ASCN8ASIGMAR1KDM4E
SCHEMBL4237283 0.80 SIGMAR1 (0.42) SIGMAR1KCNH2S1PR1MEN1KMT2A
SCHEMBL4248187 0.79 CCR5 (0.39) KDM4EACHE
SCHEMBL4237325 0.79 SIGMAR1 (0.42) GRIN2BSCN1ASCN8ASIGMAR1KDM4E
SCHEMBL4242095 0.76 LMNA (0.42) SIGMAR1S1PR1KDM4EMEN1KMT2A
SCHEMBL4244048 0.74 GRIN2B (0.37) GRIN2BHRH3SIGMAR1CYP2D6S1PR1
SCHEMBL4241459 0.73 ACHE (0.41) GRIN2BSCN1ASCN8ASIGMAR1MEN1
SCHEMBL4244052 0.73 CHRM2 (0.39) GRIN2BOPRM1SIGMAR1ACHE
SCHEMBL4244914 0.72 MEN1 (0.42) SIGMAR1S1PR1MEN1KMT2AACHE

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 GRIN2B 421/4885SCN1A 2445/4885SCN8A 2278/4885

“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.