SCHEMBL2072401

SCHEMBL2072401

Cc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.69
PRKAA2 P54646 3/20 0.49
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
DRD4 P21917 2/20 0.49
CCR3 P51677 2/20 0.49
DRD2 P14416 1/20 0.49
GABRA5 P31644 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.46
MCHR1 Q99705 1/20 0.46
SSTR5 P35346 2/20 0.46
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL2072689 0.90 HPGDS (0.70) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071294 0.90 HPGDS (0.70) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071229 0.88 HPGDS (0.67) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071452 0.88 HPGDS (0.71) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071505 0.87 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072255 0.87 HPGDS (0.70) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073434 0.87 HPGDS (0.65) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072575 0.86 HPGDS (0.69) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073075 0.86 HPGDS (0.71) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072815 0.86 HPGDS (0.66) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1

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 984/4885PRKAA2 1504/4885PRKAB2 1121/4885

“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.