SCHEMBL2073448

SCHEMBL2073448

COC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.61
GABRA5 P31644 3/20 0.44
USP30 Q70CQ3 3/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RET P07949 1/20 0.43
WNT3A P56704 1/20 0.42
SMO Q99835 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
SCHEMBL2072301 0.84 HPGDS (0.58) HPGDSGABRA5USP30
SCHEMBL2070824 0.84 HPGDS (0.67) HPGDSUSP30CKS1BSKP1SKP2
SCHEMBL2072337 0.84 HPGDS (0.62) HPGDSGABRA5USP30CKS1BSKP1
SCHEMBL2070763 0.84 HPGDS (0.62) HPGDSGABRA5USP30HDAC3HDAC1
SCHEMBL2070530 0.83 HPGDS (0.66) HPGDSGABRA5USP30CKS1BSKP1
SCHEMBL2072845 0.83 HPGDS (0.66) HPGDSUSP30HDAC3HDAC1HDAC2
SCHEMBL2071695 0.83 HPGDS (0.61) HPGDSGABRA5USP30WNT3A
SCHEMBL2071033 0.83 HPGDS (0.58) HPGDSGABRA5USP30CKS1BSKP1
SCHEMBL2072029 0.82 HPGDS (0.65) HPGDSUSP30HDAC3HDAC1HDAC2
SCHEMBL2070459 0.82 HPGDS (0.64) HPGDSGABRA5USP30CKS1BSKP1

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.