SCHEMBL2073092

SCHEMBL2073092

Cc1nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.58
ADORA3 P0DMS8 1/20 0.48
USP30 Q70CQ3 5/20 0.48
RET P07949 3/20 0.48
GABRA5 P31644 4/20 0.45
MAP4K4 O95819 1/20 0.44
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL2071109 0.88 HPGDS (0.59) HPGDSADORA3USP30RETGABRA5
SCHEMBL2071296 0.86 HPGDS (0.57) HPGDSADORA3USP30RETGABRA5
SCHEMBL2073833 0.84 HPGDS (0.55) HPGDSADORA3USP30RETGABRA5
SCHEMBL2073405 0.83 HPGDS (0.62) HPGDSADORA3USP30RETGABRA5
SCHEMBL2071279 0.83 HPGDS (0.61) HPGDSADORA3USP30RETGABRA5
SCHEMBL2071446 0.82 HPGDS (0.63) HPGDSADORA3USP30GABRA5MAP4K4
SCHEMBL2071720 0.82 HPGDS (0.61) HPGDSADORA3USP30RETGABRA5
SCHEMBL2070824 0.82 HPGDS (0.67) HPGDSADORA3USP30
SCHEMBL2073124 0.82 HPGDS (0.51) HPGDSADORA3USP30GABRA5MAP4K4
SCHEMBL2073348 0.82 HPGDS (0.60) HPGDSADORA3USP30GABRA5MAP4K4

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 984/4885ADORA3 486/4885USP30 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.