SCHEMBL2072774

SCHEMBL2072774

COc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.66
▸ MCHR1 Q99705 2/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ CCR3 P51677 2/20 0.52
▸ MLNR O43193 1/20 0.50
▸ PRKAA2 P54646 4/20 0.49
▸ PRKAB2 O43741 2/20 0.49
▸ PRKAG1 P54619 2/20 0.49
▸ PRKAA1 Q13131 2/20 0.49
▸ PRKAG3 Q9UGI9 2/20 0.49
▸ PRKAG2 Q9UGJ0 2/20 0.49
▸ PRKAB1 Q9Y478 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ BCHE P06276 1/20 0.49
▸ DRD4 P21917 2/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ ALDH1A1 P00352 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
SCHEMBL2073816 0.94 HPGDS (0.66) HPGDSMCHR1KCNH2CCR3PRKAA2
SCHEMBL2073206 0.93 HPGDS (0.65) HPGDSMCHR1KCNH2CCR3PRKAA2
SCHEMBL2071292 0.91 HPGDS (0.65) HPGDSMCHR1CCR3PRKAA2PRKAB2
SCHEMBL2070190 0.91 HPGDS (0.73) HPGDSMCHR1CCR3MLNRPRKAA2
SCHEMBL2072331 0.91 HPGDS (0.63) HPGDSKCNH2CCR3PRKAA2PRKAB2
SCHEMBL2073161 0.89 HPGDS (0.68) HPGDSMCHR1CCR3MLNRPRKAA2
SCHEMBL2073522 0.89 HPGDS (0.68) HPGDSMCHR1KCNH2CCR3PRKAA2
SCHEMBL2070158 0.89 HPGDS (0.71) HPGDSMCHR1KCNH2CCR3PRKAA2
SCHEMBL2072108 0.88 HPGDS (0.63) HPGDSCCR3PRKAA2ACHEBCHE
SCHEMBL2072687 0.88 HPGDS (0.61) HPGDSKCNH2CCR3PRKAA2PRKAB2

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 984/4885MCHR1 3698/4885KCNH2 2124/4885

“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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