SCHEMBL4291124

SCHEMBL4291124

O=C(c1ncn(C2CCCC2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1C(O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
AGTR2 P50052 1/20 0.37
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HRH1 P35367 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
BCHE P06276 2/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 4/20 0.34
DRD2 P14416 2/20 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 SCHEMBL4283630 0.80 USP19 (0.33) PRMT5MGLL
SCHEMBL4753514 0.77 ADRA2C (0.39) CYP2D6ADRA2CADRA1DHRH1SLC6A3
SCHEMBL3492556 0.76 AGTR2 (0.50) CYP2D6AGTR2BCHEKDM4EALDH1A1
SCHEMBL4287934 0.74 CA1 (0.49) CYP2D6CYP3A4CYP2C9
SCHEMBL13340919 0.73 DRD2 (0.39) AGTR2ADRA2CADRA1DHRH1SLC6A3
SCHEMBL3495449 0.73 AGTR2 (0.40) CYP2D6AGTR2EGFRALDH1A1DRD2
SCHEMBL4281780 0.73 CA1 (0.42)
SCHEMBL3493839 0.73 EGFR (0.48) CYP2D6CYP3A4EGFRKDM4EJAK2
SCHEMBL3491960 0.72 CA1 (0.42) EGFRJAK2JAK1TYK2JAK3
SCHEMBL3491471 0.72 CA1 (0.42) EGFRJAK2JAK1TYK2JAK3

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 4 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-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

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 CYP2D6 173/4885AGTR2 5/4885ADRA2C 838/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP2D6 173/4885AGTR2 5/4885ADRA2C 838/4885

“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.