SCHEMBL4291276

SCHEMBL4291276

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2OC)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP2D6 P10635 5/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 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
SCHEMBL4294545 1.00 SIGMAR1 (0.36) SIGMAR1ALDH1A1KDM4ECA1CA2
SCHEMBL4285341 0.94 CA1 (0.33) KDM4ECA1CA2CA4CA9
SCHEMBL4284797 0.93 CA1 (0.35) SIGMAR1CA1CA2CA4CA9
SCHEMBL4289813 0.93 CA1 (0.35) SIGMAR1CA1CA2CA4CA9
SCHEMBL4288504 0.92 CA1 (0.36) SIGMAR1ALDH1A1CA1CA2CA4
SCHEMBL4291531 0.90 SIGMAR1 (0.37) SIGMAR1ALDH1A1KDM4ECA1CA2
SCHEMBL4291319 0.89 CA1 (0.32) CA1CA2CA4CA9HCRTR2
SCHEMBL4290284 0.89 CA1 (0.32) CA1CA2CA4CA9DPP4
SCHEMBL4281681 0.88 CA1 (0.42) SIGMAR1ALDH1A1CA1CA2CA4
SCHEMBL4287604 0.88 CA1 (0.36) SIGMAR1ALDH1A1KDM4ECA1CA2

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 SIGMAR1 3163/4885ALDH1A1 388/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885ALDH1A1 388/4885KDM4E 760/4885

“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.