SCHEMBL4294977

SCHEMBL4294977

O=C(O)N1CCN[C@H](CCOc2ccc3ccccc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
GPR183 P32249 1/20 0.44
PTPN7 P35236 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD3 P35462 2/20 0.40
LCK P06239 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3493396 0.88 TEAD1 (0.46) NPC1HPGDRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4293711 0.87 PARP1 (0.45) NPC1HPGDRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4293709 0.87 PARP1 (0.45) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL8124047 0.87 GPR183 (0.43) NPC1HPGDRAB9AGPR183SLC6A2
SCHEMBL4752778 0.84 RAB9A (0.44) NPC1HPGDRAB9AGPR183DRD3
SCHEMBL4281703 0.84 RAB9A (0.44) NPC1HPGDRAB9AGPR183DRD3
SCHEMBL4282373 0.82 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL4751897 0.82 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL4285458 0.82 KDM4E (0.41) KDM4EALDH1A1DRD3HRH3SIGMAR1
SCHEMBL4750156 0.82 DRD3 (0.46) HPGDALDH1A1DRD3

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 NPC1 1165/4885HPGD 106/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPC1 1165/4885HPGD 106/4885RAB9A 1247/4885

“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.