SCHEMBL2074161

SCHEMBL2074161

O=C(NC1CCN(CC2CCOCC2)CC1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.67
USP30 Q70CQ3 1/20 0.57
PRKAA2 P54646 3/20 0.53
PRKAB2 O43741 2/20 0.53
PRKAG1 P54619 2/20 0.53
PRKAA1 Q13131 2/20 0.53
PRKAG3 Q9UGI9 2/20 0.53
PRKAG2 Q9UGJ0 2/20 0.53
PRKAB1 Q9Y478 2/20 0.53
KDM2B Q8NHM5 1/20 0.52
TTK P33981 1/20 0.50
HTR4 Q13639 1/20 0.49
GABRA5 P31644 4/20 0.49
RIPK2 O43353 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
SCHEMBL2072380 0.89 HPGDS (0.71) HPGDSUSP30GABRA5RIPK2
SCHEMBL16496353 0.86 HPGDS (0.62) HPGDSUSP30TTKGABRA5
SCHEMBL2071696 0.84 HPGDS (0.69) HPGDSUSP30HTR4GABRA5RIPK2
SCHEMBL2073964 0.82 PRKAA2 (0.78) HPGDSUSP30PRKAA2PRKAB2PRKAG1
SCHEMBL2982302 0.81 HPGDS (0.66) HPGDSGABRA5
SCHEMBL2982308 0.81 HPGDS (0.66) HPGDSGABRA5
SCHEMBL2990057 0.81 HPGDS (0.66) HPGDSGABRA5
SCHEMBL2070370 0.81 HPGDS (0.78) HPGDSUSP30PRKAA2PRKAB2PRKAG1
SCHEMBL14190118 0.81 HPGDS (0.71) HPGDSUSP30PRKAA2PRKAB2PRKAG1
SCHEMBL2071021 0.81 HPGDS (1.00) HPGDSUSP30PRKAA2PRKAB2PRKAG1

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 984/4885USP30 4416/4885PRKAA2 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.