SCHEMBL2072404

SCHEMBL2072404

CC(C)(C)OCCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.72
HTR7 P34969 6/20 0.56
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
HTR6 P50406 1/20 0.49
GABRA5 P31644 3/20 0.49
DRD4 P21917 1/20 0.47
SSTR5 P35346 2/20 0.46

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
SCHEMBL2072024 0.89 HPGDS (0.75) HPGDSHTR7DRD2GABRA5DRD4
SCHEMBL2071480 0.87 HPGDS (0.76) HPGDSHTR7HTR1ADRD2HTR6
SCHEMBL2071545 0.87 HPGDS (0.84) HPGDSHTR7DRD2GABRA5DRD4
SCHEMBL2071354 0.85 HPGDS (0.73) HPGDSHTR7HTR1ADRD2HTR6
SCHEMBL2072921 0.84 HPGDS (0.74) HPGDSHTR7GABRA5
SCHEMBL2072693 0.84 HPGDS (0.80) HPGDSHTR7DRD2DRD4
SCHEMBL2070457 0.84 HPGDS (1.00) HPGDSHTR7DRD2DRD4
SCHEMBL31580459 0.84 HPGDS (1.00) HPGDSHTR7DRD2DRD4
SCHEMBL2073037 0.83 HPGDS (0.73) HPGDSHTR7DRD2DRD4
SCHEMBL2071531 0.83 HPGDS (0.77) HPGDSHTR7DRD2GABRA5DRD4

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 984/4885HTR7 2193/4885HTR1A 1974/4885

“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.