SCHEMBL2071396

SCHEMBL2071396

Cn1c(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc2ncccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.62
▸ GRM2 Q14416 2/20 0.45
▸ DRD4 P21917 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ CCR3 P51677 2/20 0.44
▸ HTR7 P34969 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ SSTR5 P35346 1/20 0.42

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
SCHEMBL2072654 0.89 HPGDS (0.64) HPGDSGRM2DRD4DRD2CCR3
SCHEMBL2071467 0.88 HPGDS (0.62) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2072598 0.87 HPGDS (0.63) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2071466 0.85 HPGDS (0.69) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2072066 0.84 HPGDS (0.64) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2072265 0.83 HPGDS (0.65) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2073210 0.83 HPGDS (0.67) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2073513 0.83 HPGDS (0.66) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2069744 0.82 HPGDS (0.62) HPGDSDRD4DRD2CCR3HTR7
SCHEMBL2072381 0.82 HPGDS (0.70) HPGDSDRD4DRD2CCR3HTR7

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 984/4885GRM2 4005/4885DRD4 3159/4885

“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.

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