SCHEMBL2071183

SCHEMBL2071183

COC(=O)c1cnc(N)nc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.57
MAP4K4 O95819 6/20 0.49
GABRA5 P31644 2/20 0.42
USP30 Q70CQ3 1/20 0.42
OPRK1 P41145 1/20 0.41
WNT3A P56704 1/20 0.41
PAK1 Q13153 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
SCHEMBL2072471 0.83 HPGDS (0.61) HPGDSMAP4K4GABRA5USP30PAK1
SCHEMBL2072704 0.82 HPGDS (0.59) HPGDSMAP4K4GABRA5
SCHEMBL2072753 0.81 HPGDS (0.64) HPGDSMAP4K4GABRA5USP30
SCHEMBL2073448 0.80 HPGDS (0.61) HPGDSGABRA5USP30WNT3A
SCHEMBL2072731 0.80 HPGDS (0.61) HPGDSMAP4K4GABRA5USP30
SCHEMBL2070565 0.80 HPGDS (0.63) HPGDSMAP4K4GABRA5USP30PAK1
SCHEMBL2072301 0.80 HPGDS (0.58) HPGDSGABRA5USP30
SCHEMBL2070380 0.79 HPGDS (0.60) HPGDSGABRA5USP30OPRK1
SCHEMBL2071362 0.79 HPGDS (0.62) HPGDSMAP4K4GABRA5USP30PAK1
SCHEMBL2072921 0.79 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.