SCHEMBL4293883

SCHEMBL4293883

CC(C)OC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 1/20 0.33
KMT2A Q03164 2/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ACE P12821 1/20 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
SCHEMBL4290038 0.91 ALDH1A1 (0.37) CNR1CHRNA7TSHRALDH1A1KMT2A
SCHEMBL4290973 0.89 TSHR (0.38) TSHRALDH1A1KMT2AMEN1USP2
SCHEMBL4285705 0.86 ALDH1A1 (0.40) CNR1TSHRALDH1A1KMT2AMEN1
SCHEMBL4292738 0.86 ALDH1A1 (0.40) CNR1TSHRALDH1A1KMT2AMEN1
SCHEMBL4284004 0.84 FAAH (0.40) CNR1CHRNA7TSHRALDH1A1LMNA
SCHEMBL4291109 0.83 EPHX1 (0.35) CNR1TSHRALDH1A1
SCHEMBL4752660 0.79 CA1 (0.40) ALDH1A1DRD2
SCHEMBL4284218 0.79 MCOLN2 (0.37) CNR1TSHRALDH1A1
SCHEMBL4296461 0.79 CYP19A1 (0.41) TSHRALDH1A1KMT2AMEN1
SCHEMBL4296455 0.79 CYP19A1 (0.41) TSHRALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CNR1 3488/4885CHRNA7 4056/4885CHRNB2 4707/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CNR1 3488/4885CHRNA7 4056/4885CHRNB2 4707/4885

“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.