SCHEMBL2071291

SCHEMBL2071291

CC(C)(C)C(=O)N1CCC(NC(=O)c2cnc(-c3cccc(F)c3)c(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.51
GABRA5 P31644 4/20 0.45
KMT2A Q03164 4/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
MAP4K4 O95819 1/20 0.42
MEN1 O00255 2/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
HTR7 P34969 2/20 0.42
DYRK1A Q13627 1/20 0.41
CSNK1E P49674 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 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
SCHEMBL1365756 0.87 HPGDS (0.55) HPGDSGABRA5KMT2ADRD2DRD4
SCHEMBL2070012 0.84 HPGDS (0.73) HPGDSGABRA5DRD2DRD4HTR7
SCHEMBL1543837 0.80 GABRA5 (0.50) HPGDSGABRA5MAP4K4NTRK1HTR7
SCHEMBL1543835 0.80 GABRA5 (0.50) HPGDSGABRA5MAP4K4NTRK1HTR7
SCHEMBL2072621 0.80 HPGDS (0.47) HPGDSGABRA5KMT2ADRD2DRD4
SCHEMBL1365844 0.79 MAPK14 (0.43) HPGDSKMT2ADRD2DRD4MEN1
SCHEMBL1365957 0.79 L3MBTL1 (0.46) HPGDSGABRA5KMT2AMEN1HTR7
SCHEMBL1365697 0.77 MAP4K4 (0.49) HPGDSGABRA5DRD2DRD4MAP4K4
SCHEMBL1367288 0.76 PHGDH (0.49) HPGDSKMT2ADRD4MEN1
SCHEMBL1364287 0.75 SMYD3 (0.46) HPGDSKMT2AMEN1CKS1BSKP1

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 1998/4885KMT2A 2987/4885

“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.