SCHEMBL4294596

SCHEMBL4294596

COC(=O)c1ncn(C2CCC(O)CC2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
HRH1 P35367 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPK14 Q16539 4/20 0.40
EGFR P00533 2/20 0.40
MAPK13 O15264 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
RAF1 P04049 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
SCHEMBL4294592 1.00 SLC6A3 (0.44) SLC6A3ADRA2CADRA1DHRH1TMEM97
SCHEMBL4293262 0.91 SLC6A3 (0.43) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL4282795 0.90 ALDH1A1 (0.45) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL4285173 0.90 ALDH1A1 (0.45) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL3494123 0.88 SLC6A4 (0.44) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL3494782 0.85 CYP11B2 (0.44) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL3494237 0.83 DRD4 (0.48) ALDH1A1KDM4EMAPK14HSD17B10
SCHEMBL4289719 0.83 ALDH1A1 (0.40) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL4289716 0.83 ALDH1A1 (0.40) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9
SCHEMBL4289724 0.83 ALDH1A1 (0.40) SLC6A3SLC6A4ALDH1A1MAPTCYP2C9

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 5 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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 SLC6A3 372/4885ADRA2C 838/4885ADRA1D 1377/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SLC6A3 372/4885ADRA2C 838/4885ADRA1D 1377/4885

“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.