SCHEMBL2072958

SCHEMBL2072958

CCCC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.68
MAP4K4 O95819 2/20 0.48
GABRA5 P31644 3/20 0.47
USP30 Q70CQ3 1/20 0.47
EPHX2 P34913 2/20 0.47
CCR8 P51685 1/20 0.47
NPY5R Q15761 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL2071379 0.90 HPGDS (0.54) HPGDSGABRA5USP30EPHX2CCR8
SCHEMBL2070758 0.89 HPGDS (0.54) HPGDSUSP30EPHX2CCR8
SCHEMBL2073485 0.87 HPGDS (0.70) HPGDSUSP30DRD4
SCHEMBL2071480 0.87 HPGDS (0.76) HPGDSGABRA5USP30EPHX2DRD2
SCHEMBL2073050 0.86 HPGDS (0.72) HPGDSMAP4K4GABRA5USP30DRD2
SCHEMBL2070076 0.86 HPGDS (0.72) HPGDSMAP4K4GABRA5USP30DRD2
SCHEMBL2072921 0.85 HPGDS (0.74) HPGDSMAP4K4GABRA5USP30EPHX2
SCHEMBL2071354 0.84 HPGDS (0.73) HPGDSGABRA5EPHX2DRD2DRD4
SCHEMBL14190145 0.84 HPGDS (0.75) HPGDSMAP4K4GABRA5USP30DRD2
SCHEMBL1543340 0.84 HPGDS (0.74) HPGDSMAP4K4GABRA5USP30

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 984/4885MAP4K4 1602/4885GABRA5 1998/4885

“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.