SCHEMBL4459149

SCHEMBL4459149

c1ccc(C2(c3ccccc3)CNC(c3cnccn3)=N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
NPY5R Q15761 4/20 0.41
KCNH2 Q12809 1/20 0.41
METAP2 P50579 1/20 0.40
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
BACE1 P56817 2/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL4462939 0.85 NPY5R (0.58) NISCHNPY5RKCNH2ADRA1AADRA1B
SCHEMBL4463957 0.75 NISCH (0.46) NISCHNPY5RBACE1KDM4EALDH1A1
SCHEMBL6587379 0.72 BACE1 (0.47) NISCHNPY5RKCNH2METAP2ADRA1A
SCHEMBL4461990 0.67 NPY5R (0.39) NPY5RKCNH2ALDH1A1RAB9A
SCHEMBL4472900 0.65 NPY5R (0.58) NISCHNPY5RBACE1CYP3A4ALDH1A1
SCHEMBL166615 0.65 CYP2A6 (0.52) METAP2PIM1KDM4ECYP3A4ALDH1A1
SCHEMBL29904375 0.65 CYP2A6 (0.52) METAP2PIM1KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4459728 0.64 NPY5R (0.56) NISCHNPY5RBACE1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6061020 0.63 CYP2A6 (0.50) METAP2BACE1PIM1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL4552312 0.63 CYP2A6 (0.50) METAP2BACE1PIM1KDM4ECYP3A4

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 NISCH 4065/4885NPY5R 9/4885KCNH2 473/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 NISCH 3812/4885NPY5R 4/4885KCNH2 493/4885

“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.