SCHEMBL2069964

SCHEMBL2069964

COc1cccc(-c2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cnn2C)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.65
CCR3 P51677 2/20 0.50
PRKAA2 P54646 3/20 0.48
POLB P06746 2/20 0.47
HTR7 P34969 1/20 0.47
DRD4 P21917 1/20 0.46
WNT3A P56704 1/20 0.45
MCHR1 Q99705 3/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2071634 0.94 HPGDS (0.60) HPGDSCCR3PRKAA2POLBHTR7
SCHEMBL2072477 0.94 HPGDS (0.67) HPGDSCCR3PRKAA2POLBHTR7
SCHEMBL2071465 0.91 HPGDS (0.65) HPGDSCCR3PRKAA2POLBHTR7
SCHEMBL2072781 0.90 HPGDS (0.64) HPGDSCCR3PRKAA2POLBHTR7
SCHEMBL2071817 0.90 HPGDS (0.58) HPGDSCCR3POLBHTR7DRD4
SCHEMBL2070822 0.89 HPGDS (0.62) HPGDSCCR3PRKAA2POLBHTR7
SCHEMBL2071292 0.87 HPGDS (0.65) HPGDSCCR3PRKAA2DRD4WNT3A
SCHEMBL2073206 0.87 HPGDS (0.65) HPGDSCCR3PRKAA2DRD4WNT3A
SCHEMBL2072774 0.86 HPGDS (0.66) HPGDSCCR3PRKAA2DRD4MCHR1
SCHEMBL2073816 0.86 HPGDS (0.66) HPGDSCCR3PRKAA2DRD4MCHR1

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 2034/4885PRKAA2 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.