SCHEMBL4290177

SCHEMBL4290177

O=C(O)N1CCN(C(=O)O)[C@H](CCn2ccc3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR6 P50406 2/20 0.41

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
SCHEMBL4288884 0.79 ADRA2A (0.52) LMNAKMT2ADRD2DRD4DRD3
SCHEMBL4285897 0.79 KMO (0.51) KMT2AMAPK1HSD17B10TSHRSMN1; SMN2
SCHEMBL1581980 0.78 MTNR1A (0.51) LMNAKMT2AMTNR1AMTNR1BCDK4
Hydrochloric Acid SCHEMBL4292429 0.77 LMNA (0.43) LMNAKMT2AMTNR1AMTNR1BCDK4
Hydrochloric Acid SCHEMBL4293143 0.77 LMNA (0.43) LMNAKMT2AMTNR1AMTNR1BCDK4
SCHEMBL4292117 0.76 ESR1 (0.52)
SCHEMBL4281619 0.76 STAT3 (0.51) KMT2ATSHRSMN1; SMN2
SCHEMBL4552154 0.76 STAT3 (0.51) KMT2ATSHRSMN1; SMN2
SCHEMBL4283648 0.75 LMNA (0.43) LMNAKMT2ATP53TSHRSMN1; SMN2
SCHEMBL4292497 0.75 KMO (0.49) KMT2AMAPK1HSD17B10TSHRSMN1; SMN2

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 LMNA 1785/4885KMT2A 1049/4885MTNR1A 1411/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885KMT2A 1049/4885MTNR1A 1411/4885

“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.