SCHEMBL4291445

SCHEMBL4291445

O=C(O)N1CCN[C@H](CCOc2ccc3c(c2)OCC3)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PPARG P37231 4/20 0.38
PPARA Q07869 1/20 0.38
MAOB P27338 5/20 0.37
ACHE P22303 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
MAOA P21397 1/20 0.34
FKBP1A P62942 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
GRM5 P41594 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
Hydrochloric Acid SCHEMBL4289106 0.91 TSHR (0.41) TSHRPPARGPPARAMAOBACHE
SCHEMBL8104467 0.86 CXCR4 (0.42) MAOBSIGMAR1MAOANPC1ALDH1A1
SCHEMBL4282146 0.85 FKBP1A (0.47) TSHRMAOBMAOAFKBP1ANPC1
SCHEMBL4287271 0.81 TSHR (0.42) TSHRPPARGPPARAMAOBACHE
SCHEMBL4292712 0.79 DRD3 (0.46) TSHRFKBP1AALDH1A1HPGD
SCHEMBL4750156 0.79 DRD3 (0.46) TSHRFKBP1AALDH1A1HPGD
SCHEMBL4290237 0.79 MAOB (0.51) MAOBMAOA
SCHEMBL4752778 0.79 RAB9A (0.44) PPARGPPARAFKBP1ANPC1HPGD
SCHEMBL4294977 0.79 NPC1 (0.45) SIGMAR1NPC1ALDH1A1HPGDRAB9A
SCHEMBL4281703 0.79 RAB9A (0.44) PPARGPPARAFKBP1ANPC1HPGD

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 TSHR 3226/4885PPARG 1951/4885PPARA 1588/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885PPARG 1951/4885PPARA 1588/4885

“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.