SCHEMBL2525839

SCHEMBL2525839

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.57
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
ACE P12821 1/20 0.53
SPHK2 Q9NRA0 2/20 0.51
SPHK1 Q9NYA1 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PRMT5 O14744 2/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.48
YAP1 P46937 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1584924 1.00 KLK7 (0.57) KLK7HRH2HRH1ACESPHK2
SCHEMBL4794892 0.97 PRMT5 (0.54) KLK7HRH2HRH1ACESPHK2
SCHEMBL7276747 0.87 KDM4E (0.62) KLK7SPHK2SPHK1KDM4ELMNA
SCHEMBL17281349 0.86 KLK7 (0.56) KLK7HRH2HRH1ACESPHK2
SCHEMBL15853470 0.86 KLK7 (0.56) KLK7HRH2HRH1ACESPHK2
SCHEMBL1585454 0.86 SPHK2 (0.57) ACESPHK2SPHK1KDM4ELMNA
SCHEMBL27886966 0.86 SPHK2 (0.57) ACESPHK2SPHK1KDM4ELMNA
SCHEMBL5408443 0.85 NPC1 (0.57) KLK7HRH2HRH1KDM4ELMNA
SCHEMBL3530509 0.85 NPC1 (0.57) KLK7HRH2HRH1KDM4ELMNA
SCHEMBL22163627 0.84 HDAC1 (0.62) KLK7ACEKDM4ELMNANPC1

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
EP-2486011-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 US disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 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-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 KLK7 4334/4885HRH2 928/4885HRH1 877/4885

“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.