SCHEMBL2073207

SCHEMBL2073207

Cc1nn(C)c(N2CCCOCC2)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.57
GABRA5 P31644 5/20 0.46
WNT3A P56704 3/20 0.46
PDE4B Q07343 1/20 0.42
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL2071891 0.86 HPGDS (0.66) HPGDSGABRA5HTR7DRD2DRD4
SCHEMBL2072620 0.85 HPGDS (0.64) HPGDSGABRA5HTR7DRD2DRD4
SCHEMBL2071454 0.81 HPGDS (0.70) HPGDSWNT3ADRD2DRD4MCHR1
SCHEMBL2071571 0.80 HPGDS (0.64) HPGDSGABRA5DRD2DRD4
SCHEMBL2071474 0.80 HPGDS (0.66) HPGDSGABRA5HTR7DRD2DRD4
SCHEMBL2072832 0.80 HPGDS (0.63) HPGDSGABRA5DRD2DRD4MCHR1
SCHEMBL2073241 0.79 HPGDS (0.75) HPGDSGABRA5HTR7DRD2DRD4
SCHEMBL2072961 0.79 HPGDS (0.67) HPGDSGABRA5HTR7DRD2DRD4
SCHEMBL2071407 0.79 HPGDS (0.62) HPGDSGABRA5DRD2DRD4MCHR1
SCHEMBL2072382 0.79 HPGDS (0.62) HPGDSGABRA5WNT3ADRD2DRD4

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 1998/4885WNT3A 3094/4885

“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.