SCHEMBL2073790

SCHEMBL2073790

O=C(NC1CCN(Cc2ccccc2OCCO)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.66
HTR7 P34969 5/20 0.57
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
SSTR5 P35346 5/20 0.48
MCHR1 Q99705 2/20 0.48
HTR2C P28335 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 2/20 0.47
CCR3 P51677 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
SCHEMBL2070312 0.92 HPGDS (0.66) HPGDSHTR7DRD2SSTR5HTR1A
SCHEMBL2073023 0.91 HPGDS (0.67) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2073797 0.91 HPGDS (0.61) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2072389 0.89 HPGDS (0.65) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2071120 0.89 HPGDS (0.64) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2072812 0.87 HPGDS (0.68) HPGDSDRD2DRD4SSTR5MCHR1
SCHEMBL2071100 0.87 HPGDS (0.68) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2071870 0.86 HPGDS (0.70) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2070190 0.86 HPGDS (0.73) HPGDSHTR7DRD2DRD4SSTR5
SCHEMBL2073830 0.86 HPGDS (0.73) HPGDSHTR7DRD2DRD4SSTR5

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 984/4885HTR7 2193/4885DRD2 2709/4885

“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.