SCHEMBL2070748

SCHEMBL2070748

COc1cccc(C(OCC(F)F)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.59
ROCK2 O75116 2/20 0.46
PRKG1 Q13976 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
AKT1 P31749 1/20 0.46
PRKAA2 P54646 3/20 0.43
CCR3 P51677 1/20 0.43
GABRA5 P31644 3/20 0.42
ALDH1A1 P00352 2/20 0.41
WNT3A P56704 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
HTR7 P34969 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39

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
SCHEMBL2070384 0.87 HPGDS (0.62) HPGDSROCK2PRKG1PRKACAPRKACG
SCHEMBL2070416 0.83 HPGDS (0.60) HPGDSROCK2PRKG1PRKACAPRKACG
SCHEMBL2072046 0.81 HPGDS (0.60) HPGDSROCK2PRKG1PRKACAPRKACG
SCHEMBL2070158 0.80 HPGDS (0.71) HPGDSPRKAA2CCR3
SCHEMBL2071346 0.79 HPGDS (0.60) HPGDSPRKAA2CCR3GABRA5WNT3A
SCHEMBL2071776 0.79 HPGDS (0.58) HPGDSROCK2PRKG1PRKACAPRKACG
SCHEMBL2072716 0.79 HPGDS (0.61) HPGDSGABRA5ALDH1A1WNT3AHTR7
SCHEMBL2071686 0.79 HPGDS (0.65) HPGDSPRKAA2GABRA5WNT3AHTR7
SCHEMBL2073206 0.78 HPGDS (0.65) HPGDSPRKAA2CCR3ALDH1A1WNT3A
SCHEMBL2071441 0.78 HPGDS (0.68) HPGDSGABRA5WNT3A

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 984/4885ROCK2 3871/4885PRKG1 1582/4885

“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.