SCHEMBL6927079

SCHEMBL6927079

CC(C)CN1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)c[nH]3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.43
DRD3 P35462 6/20 0.42
DRD4 P21917 4/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
SLC6A4 P31645 2/20 0.42
RET P07949 5/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
DRD2 P14416 5/20 0.40
DRD1 P21728 3/20 0.40
DRD5 P21918 3/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
AURKA O14965 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC10 Q969S8 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL6920570 0.89 RET (0.42) DRD4RETTLR9TLR8DRD2
SCHEMBL6925946 0.88 TDO2 (0.45) TDO2DRD3DRD4HTR1AHTR2A
SCHEMBL6926989 0.87 MGLL (0.43) TDO2RETTLR9TLR8
SCHEMBL6925237 0.87 WNT1 (0.42) TDO2DRD3DRD4HTR1ATLR9
SCHEMBL6928054 0.86 TLR9 (0.41) DRD3RETTLR9TLR8DRD2
SCHEMBL6923619 0.86 DRD3 (0.47) TDO2DRD3DRD4HTR1AHTR2A
SCHEMBL6923909 0.85 CNR2 (0.46) RETTLR9TLR8AURKA
SCHEMBL6926756 0.84 TDO2 (0.58) TDO2DRD3DRD4HTR1AHTR2A
SCHEMBL6927419 0.84 TDO2 (0.37) TDO2DRD3DRD4HTR1AHTR2A
SCHEMBL6925583 0.84 HTR2A (0.47) TDO2DRD3DRD4HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355635-B1 IMIDAZOLEBENZENE, IMIDAZOLEPYRIDINE COMPOUNDS FOR TREATMENT OF OBESITY PFIZER INC. 2002-03-12 US claimed
US-20010039277-A1 Compounds for the treatment of obesity ELLIOTT RICHARD L (US) 2001-11-08 US claimed
WO-2000066578-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY PFIZER PRODUCTS INC. (US) 2000-11-09 WO claimed
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 TDO2 1269/4885DRD3 1478/4885DRD4 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.