SCHEMBL1002870

SCHEMBL1002870

CCN1CCC(c2ccc(I)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
SLC18A3 Q16572 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
SLC6A4 P31645 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
DRD3 P35462 2/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL81641 0.83 DRD2 (0.54) DRD2SLC18A3HRH3SLC6A4CARM1
SCHEMBL10287616 0.81 DRD2 (0.77) DRD2SLC18A3DRD3
SCHEMBL2009102 0.81 DRD2 (0.53) DRD2SLC18A3HRH3SLC6A4CARM1
SCHEMBL1812772 0.81 GAA (0.53) DRD2SLC18A3HRH3SLC6A4CARM1
SCHEMBL11440535 0.81 DRD2 (0.53) DRD2SLC18A3HRH3SLC6A4CARM1
SCHEMBL6991321 0.81 DRD2 (0.53) DRD2SLC18A3DRD3
SCHEMBL6249416 0.81 DRD2 (0.53) DRD2SLC18A3HRH3SLC6A4CARM1
SCHEMBL1003503 0.81 DRD2 (0.73) DRD2SLC18A3CARM1PRMT6DRD3
SCHEMBL23367743 0.79 HRH3 (0.60) DRD2HRH3DRD3
SCHEMBL12319791 0.79 DRD2 (0.60) DRD2SLC18A3HRH3SLC6A4CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 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 (1 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-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC DRD2 177/4885SLC18A3 2799/4885HRH3 163/4885

“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.