SCHEMBL4282685

SCHEMBL4282685

O=C(O)N1CCN[C@H](CCn2ccc(-c3ccccc3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
DGAT1 O75907 7/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
NR5A2 O00482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.34
ADRB1 P08588 1/20 0.33

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
SCHEMBL4289757 0.80 CA1 (0.38) CA1CA2CA4CA9KDM4E
SCHEMBL4281324 0.79 PDE10A (0.41) PDE10ADGAT1NR5A2KDM4EHTT
SCHEMBL4753396 0.78 CA1 (0.36) CA1CA2CA4CA9PARP1
SCHEMBL4286425 0.78 CA1 (0.36) CA1CA2CA4CA9PARP1
Hydrochloric Acid SCHEMBL4289643 0.76 ESR1 (0.50) CA1CA2CA4CA9PARP1
Hydrochloric Acid SCHEMBL4293143 0.72 LMNA (0.43) KMT2ATSHR
Hydrochloric Acid SCHEMBL4292429 0.72 LMNA (0.43) KMT2ATSHR
SCHEMBL4285115 0.72 CA1 (0.35) CA1CA2CA4CA9PARP1
SCHEMBL4285577 0.71 CA1 (0.35) CA1CA2CA4CA9HTT
SCHEMBL4290072 0.71 EGLN3 (0.50) KDM4EHTTTSHR

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 2 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

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 PDE10A 767/4885DGAT1 4697/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDE10A 767/4885DGAT1 4697/4885CA1 2275/4885

“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.