SCHEMBL4461707

SCHEMBL4461707

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.56
NISCH Q9Y2I1 1/20 0.42
MAPT P10636 11/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ATM Q13315 3/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL4461640 0.79 NPY5R (0.34) NPY5R
SCHEMBL4463702 0.74 NPY5R (0.56) NPY5RCYP2C9CYP2C19
SCHEMBL4474451 0.72 NPY5R (0.55) NPY5RNISCH
SCHEMBL4472900 0.71 NPY5R (0.58) NPY5RNISCHMAPTALDH1A1RAB9A
SCHEMBL4474683 0.71 NPY5R (0.54) NPY5RSMN1; SMN2
Hydrochloric Acid SCHEMBL4459728 0.70 NPY5R (0.56) NPY5RNISCHMAPTALDH1A1HTT
SCHEMBL4460062 0.70 GPR55 (0.36) NPY5R
SCHEMBL4469985 0.69 NPY5R (0.57) NPY5RNISCHKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4462939 0.69 NPY5R (0.58) NPY5RNISCHKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4459285 0.69 NPY5R (0.56) NPY5RNISCH

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 9/4885NISCH 4065/4885MAPT 2150/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885NISCH 3812/4885MAPT 1357/4885

“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.