SCHEMBL6923588

SCHEMBL6923588

Clc1ccc(-c2c[nH]c(-c3ccnc(N4CCN(CC5CC5)CC4)c3)n2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.40
MDM2 Q00987 1/20 0.38
PRKD1 Q15139 1/20 0.38
CTSS P25774 1/20 0.38
PTPN11 Q06124 2/20 0.36
SMG1 Q96Q15 1/20 0.35
NMT1 P30419 6/20 0.35
LRRK2 Q5S007 1/20 0.35
CNR2 P34972 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6922166 0.92 PIK3C3 (0.40) PIK3C3PRKD1PTPN11SMG1NMT1
SCHEMBL6927123 0.92 PIK3C3 (0.44) PIK3C3PRKD1CTSSSMG1NMT1
SCHEMBL6927160 0.91 DRD2 (0.43) PIK3C3PRKD1SMG1LRRK2CASP1
SCHEMBL6925929 0.88 CNR2 (0.46) MDM2CNR2CASP1CASP4CASP5
SCHEMBL6928029 0.87 SMG1 (0.43) PIK3C3PRKD1PTPN11SMG1LRRK2
SCHEMBL6926804 0.87 TRPA1 (0.39) PRKD1DRD2DRD4DRD3
SCHEMBL6925881 0.87 PIK3C3 (0.42) PIK3C3PTPN11NMT1LRRK2CNR2
SCHEMBL6924877 0.86 PIK3C3 (0.38) PIK3C3PRKD1LRRK2CASP1CASP4
SCHEMBL6928153 0.85 LRRK2 (0.43) PIK3C3PTPN11LRRK2DRD2DRD4
SCHEMBL6927498 0.85 ITGB2 (0.41) PTPN11NMT1LRRK2CNR2

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 PIK3C3 4567/4885MDM2 4849/4885PRKD1 3834/4885

“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.