SCHEMBL4290964

SCHEMBL4290964

O=C(O)N1CCN(Cc2ccccc2)[C@H](COc2ccccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA9 Q16790 4/20 0.44
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4287596 0.82 CA1 (0.41) CA1CA2CA4CA9SIGMAR1
SCHEMBL4291429 0.81 CHRNB2 (0.46) CA1CA2CA4CA9ALDH1A1
SCHEMBL4293977 0.79 FAAH (0.42) CA1CA2CA4CA9ALDH1A1
SCHEMBL3494616 0.79 HRH3 (0.46) CA1CA2CA4CA9SIGMAR1
SCHEMBL23496804 0.78 CA1 (0.65) CA1CA2CA4CA9ALDH1A1
SCHEMBL29111200 0.78 CA1 (0.65) CA1CA2CA4CA9ALDH1A1
SCHEMBL3495418 0.78 MAOB (0.48) CA1CA2CA4CA9ALDH1A1
SCHEMBL4286998 0.78 TP53 (0.48) CA1CA2CA4CA9ALDH1A1
SCHEMBL4976543 0.78 CA1 (0.50) CA1CA2CA4CA9ALDH1A1
SCHEMBL20974922 0.78 SIGMAR1 (0.54) CA1CA2CA4CA9ALDH1A1

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 3 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-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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.