SCHEMBL2070831

SCHEMBL2070831

CC[C@@H](C)c1nccnc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.61
GABRA5 P31644 4/20 0.45
USP30 Q70CQ3 1/20 0.45
EPHX2 P34913 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
GRM5 P41594 1/20 0.41
MAP4K4 O95819 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2071746 0.92 HPGDS (0.63) HPGDSGABRA5USP30EPHX2CYP2C9
SCHEMBL2071441 0.84 HPGDS (0.68) HPGDSGABRA5USP30EPHX2CYP2C9
SCHEMBL2070537 0.84 HPGDS (0.66) HPGDSGABRA5USP30DRD2DRD4
SCHEMBL2070224 0.81 HPGDS (0.70) HPGDSGABRA5USP30GRM5MAP4K4
SCHEMBL2071446 0.81 HPGDS (0.63) HPGDSGABRA5USP30DRD2DRD4
SCHEMBL2070294 0.81 HPGDS (0.65) HPGDSUSP30DRD2DRD4GRM5
SCHEMBL2070034 0.81 HPGDS (0.62) HPGDSGABRA5USP30DRD2DRD4
SCHEMBL2071401 0.81 HPGDS (0.69) HPGDSGABRA5USP30EPHX2DRD2
SCHEMBL2070380 0.81 HPGDS (0.60) HPGDSGABRA5USP30EPHX2CYP2C9
SCHEMBL2072753 0.80 HPGDS (0.64) HPGDSGABRA5USP30DRD2DRD4

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 984/4885GABRA5 1998/4885USP30 4416/4885

“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.