SCHEMBL4291047

SCHEMBL4291047

CN(CC[C@@H]1CN(C(=O)O)CCN1C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
AGTR2 P50052 1/20 0.41
OPRK1 P41145 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
SCHEMBL4282166 0.84 TACR1 (0.36) TACR1AGTR2OPRK1
SCHEMBL4285211 0.76 CA1 (0.39) MEN1KMT2ANLRP3OPRK1
SCHEMBL28978003 0.76 ACHE (0.50) MEN1KMT2A
SCHEMBL13705270 0.75 PARP1 (0.56) MEN1KMT2AOPRK1
SCHEMBL4282201 0.74 MAN1B1 (0.38) AGTR2
SCHEMBL4281174 0.74 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL3494366 0.74 TEAD1 (0.50) MEN1KMT2A
SCHEMBL4284550 0.73 TEAD1 (0.46) MEN1KMT2A
SCHEMBL4281759 0.73 RAB9A (0.46) KMT2A
SCHEMBL4297127 0.72 CA1 (0.36) TACR1MEN1KMT2AAGTR2OPRK1

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 TACR1 97/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885MEN1 1254/4885KMT2A 1049/4885

“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.