SCHEMBL2070573

SCHEMBL2070573

O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.68
DRD4 P21917 1/20 0.67
PRKAA2 P54646 4/20 0.60
PRKAB2 O43741 3/20 0.60
PRKAG1 P54619 3/20 0.60
PRKAA1 Q13131 3/20 0.60
PRKAG3 Q9UGI9 3/20 0.60
PRKAG2 Q9UGJ0 3/20 0.60
PRKAB1 Q9Y478 3/20 0.60
USP30 Q70CQ3 1/20 0.58
SIGMAR1 Q99720 2/20 0.55
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL2072533 0.92 DRD4 (0.62) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL2071452 0.90 HPGDS (0.71) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL1367196 0.89 DRD4 (0.67) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL2073969 0.87 HPGDS (0.72) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL2073964 0.87 PRKAA2 (0.78) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL2073106 0.86 DRD4 (0.62) HPGDSDRD4PRKAA2PRKAB2PRKAG1
SCHEMBL12142291 0.83 DRD4 (0.69) DRD4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL14190118 0.81 HPGDS (0.71) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL12142988 0.81 DRD4 (0.66) DRD4PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071021 0.81 HPGDS (1.00) 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 984/4885DRD4 3159/4885PRKAA2 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.