SCHEMBL2070747

SCHEMBL2070747

COc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1OCC(F)F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.60
ALDH1A1 P00352 1/20 0.47
DRD3 P35462 1/20 0.47
WNT3A P56704 1/20 0.46
SSTR5 P35346 4/20 0.46
PRKAA2 P54646 2/20 0.45
CCR3 P51677 2/20 0.45
HTR7 P34969 1/20 0.45
ACHE P22303 1/20 0.44
HTR2C P28335 1/20 0.44
MCHR1 Q99705 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44

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
SCHEMBL2071806 0.92 HPGDS (0.65) HPGDSALDH1A1DRD3WNT3ASSTR5
SCHEMBL2071635 0.92 HPGDS (0.62) HPGDSALDH1A1DRD3WNT3ASSTR5
SCHEMBL2072522 0.91 HPGDS (0.62) HPGDSALDH1A1DRD3WNT3ASSTR5
SCHEMBL2073023 0.89 HPGDS (0.67) HPGDSALDH1A1WNT3ASSTR5CCR3
SCHEMBL2071100 0.88 HPGDS (0.68) HPGDSALDH1A1DRD3WNT3ASSTR5
SCHEMBL2073983 0.87 HPGDS (0.60) HPGDSSSTR5PRKAA2CCR3MCHR1
SCHEMBL2072520 0.85 HPGDS (0.62) HPGDSALDH1A1DRD3WNT3ASSTR5
SCHEMBL2072389 0.85 HPGDS (0.65) HPGDSSSTR5PRKAA2CCR3HTR7
SCHEMBL2073556 0.84 HPGDS (0.67) HPGDSALDH1A1WNT3ASSTR5CCR3
SCHEMBL2071120 0.84 HPGDS (0.64) HPGDSSSTR5PRKAA2HTR7HTR2C

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 984/4885ALDH1A1 148/4885DRD3 2441/4885

“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.