SCHEMBL4463702

SCHEMBL4463702

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.56
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
TOP1 P11387 1/20 0.34
CYP2A6 P11509 3/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDK5 Q00535 2/20 0.30
CDK5R1 Q15078 2/20 0.30
CTSC P53634 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL4460062 0.79 GPR55 (0.36) NPY5R
SCHEMBL4474451 0.75 NPY5R (0.55) NPY5R
SCHEMBL4461707 0.74 NPY5R (0.56) NPY5RCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4459728 0.73 NPY5R (0.56) NPY5RCYP2A6CYP3A4
SCHEMBL4468114 0.72 NPY5R (0.57) NPY5R
SCHEMBL4461640 0.70 NPY5R (0.34) NPY5R
SCHEMBL4469075 0.69 NPY5R (0.60) NPY5R
SCHEMBL4462845 0.69 NPY5R (0.60) NPY5R
SCHEMBL4466490 0.68 NPY5R (0.61) NPY5R
SCHEMBL4471785 0.68 NPY5R (0.44) 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 9/4885PDGFRB 416/4885PDGFRA 413/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885PDGFRB 382/4885PDGFRA 405/4885

“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.