SCHEMBL2072906

SCHEMBL2072906

CN(C)CCCOc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.62
UTS2R Q9UKP6 9/20 0.56
PRKAA2 P54646 1/20 0.52
DRD4 P21917 2/20 0.49
CCR3 P51677 2/20 0.49
DRD2 P14416 1/20 0.49
MET P08581 1/20 0.49
HTR7 P34969 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL2072537 0.93 UTS2R (0.65) HPGDSUTS2RPRKAA2DRD4CCR3
SCHEMBL2072409 0.91 HPGDS (0.67) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL2070098 0.90 HPGDS (0.66) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL2070158 0.89 HPGDS (0.71) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL2073590 0.88 HPGDS (0.65) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL2073797 0.87 HPGDS (0.61) HPGDSUTS2RDRD4DRD2HTR7
SCHEMBL2073481 0.87 HPGDS (0.66) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL2072512 0.85 HPGDS (0.68) HPGDSPRKAA2DRD4CCR3DRD2
SCHEMBL13610005 0.84 HPGDS (0.75) HPGDSPRKAA2DRD4DRD2
SCHEMBL2072812 0.83 HPGDS (0.68) HPGDSUTS2RPRKAA2DRD4CCR3

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 984/4885UTS2R 1667/4885PRKAA2 1504/4885

“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.