SCHEMBL2071746

SCHEMBL2071746

CC(C)c1nccnc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.63
USP30 Q70CQ3 2/20 0.47
GABRA5 P31644 2/20 0.44
CYP2C9 P11712 3/20 0.43
MAPK14 Q16539 3/20 0.43
MAPK11 Q15759 1/20 0.43
GRM5 P41594 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.43
WNT3A P56704 1/20 0.42
EPHX2 P34913 1/20 0.42
PAK1 Q13153 1/20 0.42

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
SCHEMBL2070831 0.92 HPGDS (0.61) HPGDSUSP30GABRA5CYP2C9MAPK14
SCHEMBL2070537 0.86 HPGDS (0.66) HPGDSUSP30GABRA5GRM5KMT2A
SCHEMBL2070224 0.84 HPGDS (0.70) HPGDSUSP30GABRA5GRM5KMT2A
SCHEMBL2071446 0.84 HPGDS (0.63) HPGDSUSP30GABRA5GRM5MAP4K4
SCHEMBL2070294 0.84 HPGDS (0.65) HPGDSUSP30GRM5KMT2AMAP4K4
SCHEMBL2072753 0.83 HPGDS (0.64) HPGDSUSP30GABRA5GRM5KMT2A
SCHEMBL2072921 0.83 HPGDS (0.74) HPGDSUSP30GABRA5GRM5MAP4K4
SCHEMBL2070530 0.83 HPGDS (0.66) HPGDSUSP30GABRA5GRM5MAP4K4
SCHEMBL2070565 0.82 HPGDS (0.63) HPGDSUSP30GABRA5CYP2C9GRM5
SCHEMBL2072456 0.82 HPGDS (0.68) HPGDSUSP30MAPK14MAPK11GRM5

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 984/4885USP30 4416/4885GABRA5 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.