SCHEMBL4294757

SCHEMBL4294757

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2COC(=O)Nc2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.45
ACHE P22303 5/20 0.45
MAOB P27338 5/20 0.45
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
CHRM3 P20309 2/20 0.32
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4290876 0.89 ABHD6 (0.35) BCHEACHEALDH1A1TSHR
SCHEMBL4291531 0.88 SIGMAR1 (0.37) BCHEACHEALDH1A1TSHR
SCHEMBL4281681 0.87 CA1 (0.42) ALDH1A1HTTLMNA
SCHEMBL4292401 0.86 USP19 (0.39) BCHEACHEMAOBTSHRHTT
SCHEMBL4289702 0.85 HCRTR1 (0.38) BCHEACHE
SCHEMBL4295182 0.85 CA1 (0.34) BCHEACHEALDH1A1
SCHEMBL4284797 0.85 CA1 (0.35) TSHR
SCHEMBL4289813 0.85 CA1 (0.35) TSHR
SCHEMBL4284950 0.84 SIGMAR1 (0.32) BCHEACHEALDH1A1TSHRSMN1; SMN2
SCHEMBL4291276 0.84 SIGMAR1 (0.36) ALDH1A1TSHRSMN1; SMN2

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 BCHE 997/4885ACHE 698/4885MAOB 550/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT BCHE 997/4885ACHE 698/4885MAOB 550/4885

“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.