SCHEMBL4290876

SCHEMBL4290876

COCC1(O)CCCCC1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2COCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
CYP2D6 P10635 4/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4291531 0.92 SIGMAR1 (0.37) BCHEACHECA1CA2CA4
SCHEMBL4281681 0.90 CA1 (0.42) CA1CA2CA4CA9ALDH1A1
SCHEMBL4294757 0.89 BCHE (0.45) BCHEACHETSHRALDH1A1
SCHEMBL4289702 0.88 HCRTR1 (0.38) BCHEACHECA1CA2CA4
SCHEMBL4284797 0.88 CA1 (0.35) CA1CA2CA4CA9CYP2D6
SCHEMBL4289813 0.88 CA1 (0.35) CA1CA2CA4CA9CYP2D6
SCHEMBL4284950 0.87 SIGMAR1 (0.32) BCHEACHECA1CA2CA4
SCHEMBL4288504 0.87 CA1 (0.36) BCHEACHECA1CA2CA4
SCHEMBL4287604 0.87 CA1 (0.36) CA1CA2CA4CA9CYP2D6
SCHEMBL4291276 0.87 SIGMAR1 (0.36) CA1CA2CA4CA9CYP2D6

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 7 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-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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 ABHD6 3736/4885DAGLA 4309/4885BCHE 997/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ABHD6 3736/4885DAGLA 4309/4885BCHE 997/4885

“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.