SCHEMBL6928657

SCHEMBL6928657

O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)c[nH]3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
HSD11B1 P28845 1/20 0.42
GPR183 P32249 1/20 0.42
PRMT5 O14744 4/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6924758 0.84 PKM (0.41) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL6927304 0.82 DRD4 (0.59) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL6923542 0.81 MEN1 (0.44) MAPK1LMNAKDM4E
SCHEMBL6926613 0.81 TDO2 (0.41) MAPK1LMNAKDM4E
SCHEMBL6927606 0.79 KDM4E (0.55) MAPK1TSHRLMNAKDM4EHPGD
SCHEMBL6926756 0.78 TDO2 (0.58) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL6925404 0.77 AURKA (0.55) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL6925946 0.77 TDO2 (0.45) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL6924654 0.77 HDAC1 (0.50) HTR1APRMT5
SCHEMBL6925583 0.76 HTR2A (0.47) HTR1ADRD4HTR2ASLC6A4DRD3

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-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
WO-2000066578-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY PFIZER PRODUCTS INC. (US) 2000-11-09 WO 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 HTR1A 158/4885DRD4 2672/4885HTR2A 169/4885

“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.