SCHEMBL2070158

SCHEMBL2070158

COc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.71
DRD4 P21917 4/20 0.63
CCR3 P51677 3/20 0.62
PRKAA2 P54646 2/20 0.62
MCHR1 Q99705 4/20 0.57
KCNH2 Q12809 1/20 0.57
DRD2 P14416 2/20 0.55
HTR2A P28223 1/20 0.55
JAK1 P23458 2/20 0.54
JAK3 P52333 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL2072512 0.94 HPGDS (0.68) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL2070098 0.93 HPGDS (0.66) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL2073522 0.92 HPGDS (0.68) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL2073590 0.92 HPGDS (0.65) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL2072409 0.92 HPGDS (0.67) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL2073481 0.91 HPGDS (0.66) HPGDSDRD4CCR3PRKAA2MCHR1
SCHEMBL4393046 0.89 HPGDS (0.66) HPGDSCCR3MCHR1ACHE
SCHEMBL2072906 0.89 HPGDS (0.62) HPGDSDRD4CCR3PRKAA2DRD2
SCHEMBL13610005 0.89 HPGDS (0.75) HPGDSDRD4PRKAA2MCHR1DRD2
SCHEMBL2073816 0.89 HPGDS (0.66) HPGDSDRD4CCR3PRKAA2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885DRD4 3159/4885CCR3 2034/4885

“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.