SCHEMBL4244909

SCHEMBL4244909

CC(C)(C)c1ccc(-c2ccccc2N(CC2C3CCC2CN(Cc2ccccc2)C3)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.44
S1PR5 Q9H228 4/20 0.44
S1PR4 O95977 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR3 Q99500 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MLNR O43193 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4237268 0.86 MEN1 (0.42) S1PR1S1PR5S1PR4MEN1KMT2A
SCHEMBL4248022 0.83 GRIN2B (0.40) S1PR1S1PR5SIGMAR1MLNRACHE
SCHEMBL4241455 0.82 SIGMAR1 (0.41) S1PR1S1PR5SIGMAR1DRD2DRD4
SCHEMBL4250520 0.81 MEN1 (0.44) S1PR1S1PR5MEN1KMT2ASIGMAR1
SCHEMBL4249836 0.77 GRIN2B (0.40) S1PR1S1PR5SIGMAR1ACHE
SCHEMBL4238450 0.77 MEN1 (0.41) MEN1KMT2ASIGMAR1ACHEKDM4E
SCHEMBL4237568 0.76 KDM4E (0.42) SIGMAR1DRD2DRD4KDM4EALDH1A1
SCHEMBL4244157 0.76 GRIN2B (0.41) S1PR1S1PR5ACHE
SCHEMBL4245846 0.75 MEN1 (0.40) S1PR1S1PR5S1PR4MEN1KMT2A
SCHEMBL4248188 0.74 ACHE (0.42) S1PR1S1PR5MEN1KMT2AACHE

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
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 S1PR1 306/4885S1PR5 333/4885S1PR4 413/4885

“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.