SCHEMBL6926804

SCHEMBL6926804

Fc1ccc(-c2c[nH]c(-c3ccnc(N4CCN(CC5CC5)CC4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
DRD2 P14416 7/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
CYP17A1 P05093 1/20 0.39
CYP21A2 P08686 1/20 0.39
CYP11B1 P15538 1/20 0.39
PRKD1 Q15139 1/20 0.38
HTR2A P28223 4/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL6924877 0.91 PIK3C3 (0.38) TRPA1CYP17A1CYP21A2CYP11B1PRKD1
SCHEMBL6927297 0.90 DRD2 (0.43) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL6927160 0.90 DRD2 (0.43) DRD2DRD4DRD3PRKD1HTR2A
SCHEMBL6927463 0.89 KDM4E (0.40) PRKD1HTR2A
SCHEMBL6922166 0.89 PIK3C3 (0.40) DRD2DRD4DRD3CYP17A1CYP21A2
SCHEMBL6923588 0.87 PIK3C3 (0.40) DRD2DRD4DRD3PRKD1
SCHEMBL6924961 0.87 DRD4 (0.42) TRPA1DRD2DRD4DRD3HTR2A
SCHEMBL6925464 0.87 DRD2 (0.44) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL7670455 0.85 LRRK2 (0.44) DRD2DRD4DRD3HTR2AHTR1A
SCHEMBL6925249 0.85 ITGB2 (0.49) DRD2DRD4DRD3HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514966-B2 Neuropeptide Y antagonists such as 2-chloro-5-(4-(3,4-dich loro-phenyl)-1H-imidazol-2-yl)-pyridine PFIZER INC. 2003-02-04 US disclosed
US-6355635-B1 IMIDAZOLEBENZENE, IMIDAZOLEPYRIDINE COMPOUNDS FOR TREATMENT OF OBESITY PFIZER INC. 2002-03-12 US disclosed
US-20010039277-A1 Compounds for the treatment of obesity ELLIOTT RICHARD L (US) 2001-11-08 US 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-20010039277-A1 Compounds for the treatment of obesity NPY1R, NPY4R, NPY2R TRPA1 2314/4885DRD2 1447/4885DRD4 2672/4885

“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.