SCHEMBL4462939

SCHEMBL4462939

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.58
KCNH2 Q12809 2/20 0.58
NISCH Q9Y2I1 1/20 0.40
MGAT2 Q10469 1/20 0.37
TERT O14746 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRM1 Q13255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL4459149 0.85 NISCH (0.41) NPY5RKCNH2NISCHKMT2AKDM4E
SCHEMBL4461990 0.82 NPY5R (0.39) NPY5RKCNH2ALDH1A1NPC1RAB9A
SCHEMBL4464478 0.78 NPY5R (0.36) NPY5RKCNH2
SCHEMBL4472900 0.77 NPY5R (0.58) NPY5RNISCHALDH1A1NPC1RAB9A
SCHEMBL4474683 0.77 NPY5R (0.54) NPY5RKCNH2ADRA1A
Hydrochloric Acid SCHEMBL4459728 0.76 NPY5R (0.56) NPY5RNISCHALDH1A1NPC1RAB9A
SCHEMBL4468774 0.76 NPY5R (0.34) NPY5RKCNH2
SCHEMBL4467622 0.75 NPY5R (0.62) NPY5RKCNH2
Hydrochloric Acid SCHEMBL4467576 0.75 NPY5R (0.34) NPY5RKCNH2
SCHEMBL4459965 0.74 NPY5R (0.58) NPY5RKCNH2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
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 473/4885NISCH 4065/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885KCNH2 493/4885NISCH 3812/4885

“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.