SCHEMBL2070133

SCHEMBL2070133

COc1ccc(CCCN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.64
CCR3 P51677 2/20 0.53
POLB P06746 1/20 0.51
PRKAA2 P54646 5/20 0.50
DRD4 P21917 3/20 0.50
PRKAB2 O43741 2/20 0.50
PRKAG1 P54619 2/20 0.50
PRKAA1 Q13131 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
HTR7 P34969 2/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL2073522 0.90 HPGDS (0.68) HPGDSCCR3PRKAA2DRD4PRKAB2
SCHEMBL2072747 0.90 HPGDS (0.70) HPGDSPRKAA2DRD4PRKAB2PRKAG1
SCHEMBL2072512 0.85 HPGDS (0.68) HPGDSCCR3PRKAA2DRD4PRKAB2
SCHEMBL2071354 0.85 HPGDS (0.73) HPGDSPRKAA2DRD4PRKAB2PRKAG1
SCHEMBL2070158 0.85 HPGDS (0.71) HPGDSCCR3PRKAA2DRD4BCHE
SCHEMBL2071346 0.84 HPGDS (0.60) HPGDSCCR3PRKAA2DRD4PRKAB2
SCHEMBL2071480 0.84 HPGDS (0.76) HPGDSDRD4HTR7
SCHEMBL2073037 0.83 HPGDS (0.73) HPGDSPOLBPRKAA2DRD4PRKAB2
SCHEMBL2072774 0.83 HPGDS (0.66) HPGDSCCR3PRKAA2DRD4PRKAB2
SCHEMBL2073816 0.83 HPGDS (0.66) HPGDSCCR3PRKAA2DRD4PRKAB2

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 984/4885CCR3 2034/4885POLB 2232/4885

“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.