SCHEMBL4288580

SCHEMBL4288580

O=C1CCc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.51
MAOB P27338 9/20 0.51
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45
DRD4 P21917 2/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A2 O94788 2/20 0.43
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
CACNA1F O60840 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4290237 0.92 MAOB (0.51) MAOAMAOBDRD2DRD3DRD4
SCHEMBL4292798 0.82 MAOA (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL4285854 0.80 MAOB (0.49) MAOAMAOB
Hydrochloric Acid SCHEMBL4289106 0.78 TSHR (0.41) MAOBDRD2HTR2ASLC6A4TSHR
SCHEMBL4281703 0.78 RAB9A (0.44) DRD2DRD3MEN1KMT2ASMN1; SMN2
SCHEMBL4752778 0.78 RAB9A (0.44) DRD2DRD3MEN1KMT2ASMN1; SMN2
SCHEMBL4294977 0.78 NPC1 (0.45) DRD3SLC6A4ALDH1A1LMNAMAPK1
SCHEMBL3493396 0.77 TEAD1 (0.46) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL4291445 0.77 TSHR (0.41) MAOAMAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL4283491 0.77 CHRM1 (0.40) DRD2DRD3DRD4

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 MAOA 660/4885MAOB 550/4885PDE3B 38/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAOA 660/4885MAOB 550/4885PDE3B 38/4885

“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.