SCHEMBL2149901

SCHEMBL2149901

O=C1CC[C@H](c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.50
MAOB P27338 5/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.47
KCNH2 Q12809 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
GSTP1 P09211 1/20 0.47
MAOA P21397 4/20 0.46
KDM1A O60341 2/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45

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
SCHEMBL2150597 1.00 MRGPRX4 (0.50) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL24798064 1.00 MRGPRX4 (0.50) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL3542422 0.92 CYP3A4 (0.48) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL4331848 0.91 MRGPRX4 (0.56) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL24461308 0.85 GRIN1 (0.50) MAOBKCNH2TNKS2MAOAKDM1A
SCHEMBL3538173 0.83 CYP2C19 (0.44) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL10272647 0.81 MRGPRX4 (0.64) MRGPRX4MAOBLMNAKCNH2MAOA
SCHEMBL15639718 0.79 MRGPRX4 (0.52) MRGPRX4MAOBTP53LMNAKCNH2
SCHEMBL2150685 0.79 PDE4A (0.50) MRGPRX4MAPTL3MBTL1
SCHEMBL2150745 0.79 PDE4A (0.47) MRGPRX4KDM1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
EP-2341044-A1 CYCLOALKYLAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-07-06 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 (2 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL MRGPRX4 217/4885MAOB 1803/4885TP53 3821/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL MRGPRX4 217/4885MAOB 1803/4885TP53 3821/4885

“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.