SCHEMBL4292120

SCHEMBL4292120

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2ccnc2-c2ccccc2)CC1)n1ccnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
ESR1 P03372 1/20 0.40
GRIN2B Q13224 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.38
PLA2G7 Q13093 2/20 0.37
MGLL Q99685 2/20 0.37
ABHD6 Q9BV23 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
NOS2 P35228 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4297220 0.74 MGLL (0.45) LMNAALDH1A1TSHRKMT2APLA2G7
SCHEMBL9444404 0.74 BRD4 (0.47) ESR1ALDH1A1KDM4EBRD4
SCHEMBL11579315 0.71 TSHR (0.49) OPRD1OPRK1ESR1LMNAALDH1A1
SCHEMBL4749932 0.71 KMT2A (0.48) LMNATSHRMEN1KMT2APOLB
SCHEMBL10364019 0.70 BRD4 (0.44) ESR1ALDH1A1KDM4EKMT2ABRD4
SCHEMBL10363593 0.68 GLA (0.43) ESR1LMNAALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL10366280 0.68 BRD4 (0.43) ESR1ALDH1A1KDM4EKMT2ABRD4
Mellitic Acid SCHEMBL28628589 0.68 ESR1 (0.41) ESR1TSHRMEN1KMT2ABRD4
SCHEMBL25404385 0.68 NPSR1 (0.47) OPRD1OPRK1ESR1LMNAALDH1A1
SCHEMBL28655713 0.67 ALDH1A1 (0.41) ESR1ALDH1A1MEN1KMT2AGAA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRD1 4115/4885OPRK1 2640/4885ESR1 4312/4885

“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.