SCHEMBL4287366

SCHEMBL4287366

O=C(O)N1CCN[C@H](CCOC2Cc3ccccc3C2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
REN P00797 3/20 0.36
PARP1 P09874 2/20 0.35
ADRB1 P08588 1/20 0.35
CXCR4 P61073 4/20 0.34
NAMPT P43490 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IDO1 P14902 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 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
SCHEMBL8106426 0.86 CXCR4 (0.47) CA1CA2CA4CA9CXCR4
SCHEMBL3493396 0.80 TEAD1 (0.46) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4293709 0.79 PARP1 (0.45) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4293711 0.79 PARP1 (0.45) CA1CA2CA4CA9REN
SCHEMBL3495217 0.78 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL4749797 0.77 PRMT5 (0.36) CA1CA2CA4CA9NAMPT
SCHEMBL4285806 0.77 PRMT5 (0.36) CA1CA2CA4CA9NAMPT
SCHEMBL4290785 0.77 PARP1 (0.45) CA1CA2CA4CA9REN
SCHEMBL4290889 0.75 KDM4E (0.43) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4290963 0.74 KDM4E (0.43) REN

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.