SCHEMBL4472900

SCHEMBL4472900

Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.58
NISCH Q9Y2I1 1/20 0.45
BACE1 P56817 1/20 0.42
GPR55 Q9Y2T6 5/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 1/20 0.39
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP17A1 P05093 1/20 0.38
BCHE P06276 1/20 0.38

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 SCHEMBL4459728 0.99 NPY5R (0.56) NPY5RNISCHBACE1GPR55TP53
SCHEMBL4474683 0.85 NPY5R (0.54) NPY5RBACE1CYP19A1
SCHEMBL4474451 0.81 NPY5R (0.55) NPY5RNISCH
SCHEMBL4465709 0.81 NPY5R (0.52) NPY5RBACE1CYP11B1CYP17A1
SCHEMBL4463810 0.80 NPY5R (0.41) NPY5RCYP2A6CYP11B1
SCHEMBL4469985 0.78 NPY5R (0.57) NPY5RNISCHTP53ALDH1A1NPC1
SCHEMBL4468114 0.78 NPY5R (0.57) NPY5RNISCHMAPT
SCHEMBL4473192 0.78 NPY5R (0.57) NPY5RNISCHBACE1
SCHEMBL4462939 0.77 NPY5R (0.58) NPY5RNISCHALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL4459285 0.77 NPY5R (0.56) NPY5RNISCHBACE1

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 12 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-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 9/4885NISCH 4065/4885BACE1 864/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NPY5R 4/4885NISCH 3812/4885BACE1 510/4885

“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.