SCHEMBL2071401

SCHEMBL2071401

CCC(C)CCN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.69
HTR7 P34969 5/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
USP30 Q70CQ3 1/20 0.47
HTR1A P08908 2/20 0.46
SSTR5 P35346 4/20 0.46
HTR6 P50406 1/20 0.46
MLNR O43193 1/20 0.45
EPHX2 P34913 1/20 0.45
GABRA5 P31644 2/20 0.45

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
SCHEMBL2071480 0.89 HPGDS (0.76) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071861 0.89 HPGDS (0.66) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071354 0.87 HPGDS (0.73) HPGDSHTR7DRD2DRD4HTR1A
SCHEMBL2071441 0.86 HPGDS (0.68) HPGDSDRD2DRD4USP30EPHX2
SCHEMBL2072024 0.85 HPGDS (0.75) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2072921 0.84 HPGDS (0.74) HPGDSHTR7USP30EPHX2GABRA5
SCHEMBL2073037 0.83 HPGDS (0.73) HPGDSHTR7DRD2DRD4USP30
SCHEMBL2071545 0.83 HPGDS (0.84) HPGDSHTR7DRD2DRD4GABRA5
SCHEMBL2072404 0.83 HPGDS (0.72) HPGDSHTR7DRD2DRD4HTR1A
SCHEMBL2070370 0.83 HPGDS (0.78) HPGDSHTR7DRD2DRD4USP30

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 2193/4885DRD2 2709/4885

“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.