SCHEMBL4290072

SCHEMBL4290072

O=C(O)N1CCN[C@H](CCn2cnc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.50
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
APAF1 O14727 1/20 0.42
LCK P06239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR5 P51681 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4295875 0.89 EGLN3 (0.46) EGLN3LMNATDP1DRD2DRD4
SCHEMBL4295876 0.89 EGLN3 (0.46) EGLN3LMNATDP1DRD2DRD4
SCHEMBL22121507 0.81 LMNA (0.61) EGLN3LMNAHTTTSHRNPSR1
SCHEMBL4287498 0.80 EGLN3 (0.50) EGLN3TSHRAPAF1CYP2C9CYP2C19
SCHEMBL4288884 0.79 ADRA2A (0.52) EGLN3LMNAHTTTSHRNPSR1
Hydrochloric Acid SCHEMBL4293143 0.79 LMNA (0.43) LMNATSHRDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4292429 0.79 LMNA (0.43) LMNATSHRDRD2DRD4DRD3
SCHEMBL1581855 0.78 LMNA (0.67) EGLN3LMNAHTTTSHRNPSR1
Hydrochloric Acid SCHEMBL4289643 0.76 ESR1 (0.50)
SCHEMBL4753396 0.76 CA1 (0.36) LCK

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 EGLN3 1069/4885LMNA 1785/4885HTT 4390/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EGLN3 1069/4885LMNA 1785/4885HTT 4390/4885

“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.