SCHEMBL2070958

SCHEMBL2070958

CC(CC1(C)CC1)N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.63
GABRA5 P31644 4/20 0.46
GRM5 P41594 1/20 0.44
USP30 Q70CQ3 1/20 0.44
WNT3A P56704 3/20 0.43
CYP2C9 P11712 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
MAP4K4 O95819 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
SCHEMBL2071441 0.89 HPGDS (0.68) HPGDSGABRA5GRM5USP30WNT3A
SCHEMBL2071753 0.87 HPGDS (0.66) HPGDSGABRA5GRM5USP30WNT3A
SCHEMBL2071938 0.87 HPGDS (0.66) HPGDSGABRA5GRM5USP30WNT3A
SCHEMBL2069919 0.86 HPGDS (0.73) HPGDSGABRA5USP30WNT3ADRD2
SCHEMBL2072099 0.83 HPGDS (0.65) HPGDSGABRA5USP30WNT3ADRD2
SCHEMBL2071415 0.83 HPGDS (0.70) HPGDSGABRA5GRM5USP30DRD2
SCHEMBL2072716 0.83 HPGDS (0.61) HPGDSGABRA5USP30WNT3A
SCHEMBL2071686 0.82 HPGDS (0.65) HPGDSGABRA5USP30WNT3ADRD2
SCHEMBL2071346 0.82 HPGDS (0.60) HPGDSGABRA5WNT3ADRD4
SCHEMBL2072921 0.82 HPGDS (0.74) HPGDSGABRA5GRM5USP30MAP4K4

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 1998/4885GRM5 3073/4885

“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.