SCHEMBL4289440

SCHEMBL4289440

COC(=O)c1cccc2c1cnn2CC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
REN P00797 9/20 0.36
PARP1 P09874 1/20 0.35
ADORA1 P30542 3/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MCHR1 Q99705 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
SCHEMBL4301642 0.82 CYP11B2 (0.38) CYP11B2ADORA1KDM4EMEN1KMT2A
SCHEMBL4296426 0.81 ELANE (0.43) REN
Hydrochloric Acid SCHEMBL4291159 0.80 ELANE (0.43) REN
SCHEMBL4753442 0.79 KMO (0.50) RENKDM4EMEN1KMT2AALDH1A1
SCHEMBL4290999 0.79 KMO (0.50) RENKDM4EMEN1KMT2AALDH1A1
SCHEMBL4303724 0.76 KDM4E (0.36) RENKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4290890 0.75 KDM4E (0.38) RENKDM4EMEN1KMT2AALDH1A1
SCHEMBL15997886 0.74 CYP11B2 (0.48) CYP11B2KDM4EMEN1KMT2A
SCHEMBL15987446 0.74 CYP11B2 (0.48) CYP11B2ADORA1KDM4EMEN1KMT2A
SCHEMBL4294395 0.73 KMO (0.48) RENKDM4EMEN1KMT2AALDH1A1

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 CYP11B2 6/4885REN 1/4885PARP1 3523/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP11B2 6/4885REN 1/4885PARP1 3523/4885

“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.