SCHEMBL4290291

SCHEMBL4290291

O=C(O)N1CCN(C(=O)O)[C@H](CCCn2cc3ccccc3n2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.34
FNTA P49354 4/20 0.33
FNTB P49356 4/20 0.33
TSHR P16473 2/20 0.33
IRAK4 Q9NWZ3 5/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
GRIN2B Q13224 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM6B O15054 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL4284114 0.93 MCHR1 (0.35) MCHR1FNTAFNTBTSHRIRAK4
SCHEMBL4285115 0.80 CA1 (0.35) MCHR1IRAK4
SCHEMBL4292497 0.76 KMO (0.49) MCHR1TSHRALDH1A1MAPK1
SCHEMBL4286425 0.75 CA1 (0.36) MCHR1IRAK4HDAC8
SCHEMBL4753396 0.75 CA1 (0.36) MCHR1IRAK4HDAC8
SCHEMBL4284550 0.72 TEAD1 (0.46) TSHRALDH1A1MAPK1
SCHEMBL4285897 0.71 KMO (0.51) TSHRALDH1A1MAPK1
SCHEMBL4281778 0.71 RAB9A (0.52) TSHRALDH1A1
SCHEMBL4288884 0.71 ADRA2A (0.52) TSHRALDH1A1
SCHEMBL4281324 0.71 PDE10A (0.41) TSHR

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 MCHR1 3701/4885FNTA 1157/4885FNTB 2585/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MCHR1 3701/4885FNTA 1157/4885FNTB 2585/4885

“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.