SCHEMBL4461640

SCHEMBL4461640

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncs3)=N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.34
KCNH2 Q12809 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CD38 P28907 1/20 0.32
SLC6A3 Q01959 3/20 0.30
SLC6A2 P23975 1/20 0.30
LATS1 O95835 1/20 0.30

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
SCHEMBL4461707 0.79 NPY5R (0.56) NPY5R
SCHEMBL4474683 0.75 NPY5R (0.54) NPY5RKCNH2
SCHEMBL4462939 0.73 NPY5R (0.58) NPY5RKCNH2CYP11B2
SCHEMBL4472900 0.73 NPY5R (0.58) NPY5RCYP11B1
SCHEMBL4460062 0.72 GPR55 (0.36) NPY5RKCNH2
Hydrochloric Acid SCHEMBL4459728 0.72 NPY5R (0.56) NPY5RCYP11B1
SCHEMBL4463702 0.70 NPY5R (0.56) NPY5R
SCHEMBL4463810 0.70 NPY5R (0.41) NPY5RKCNH2CYP11B1CYP11B2
SCHEMBL4461990 0.69 NPY5R (0.39) NPY5RKCNH2SLC6A3SLC6A2
SCHEMBL4474451 0.69 NPY5R (0.55) NPY5R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US claimed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP claimed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US claimed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R NPY5R 9/4885KCNH2 473/4885CYP11B1 21/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885KCNH2 493/4885CYP11B1 28/4885

“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.