SCHEMBL2072378

SCHEMBL2072378

O=C(NC1CCN(CC2CC=CCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.69
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR7 P34969 2/20 0.45
▸ USP30 Q70CQ3 1/20 0.44
▸ GABRA5 P31644 2/20 0.43
▸ PRKAA2 P54646 2/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 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
▸ GRM5 P41594 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ MLNR O43193 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 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
SCHEMBL2070370 0.90 HPGDS (0.78) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2071268 0.86 HPGDS (0.71) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2072380 0.86 HPGDS (0.71) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2073443 0.85 HPGDS (0.67) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2071696 0.84 HPGDS (0.69) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2072588 0.84 HPGDS (0.68) HPGDSDRD2DRD4HTR7USP30
SCHEMBL2982308 0.82 HPGDS (0.66) HPGDSGABRA5HTR2ADRD3MAP4K4
SCHEMBL2982302 0.82 HPGDS (0.66) HPGDSGABRA5HTR2ADRD3MAP4K4
SCHEMBL1543149 0.82 HPGDS (0.66) HPGDSHTR7GABRA5MAP4K4
SCHEMBL1543151 0.82 HPGDS (0.66) HPGDSHTR7GABRA5MAP4K4

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 984/4885DRD2 2709/4885DRD4 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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