SCHEMBL2072099

SCHEMBL2072099

CC(C)N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.65
USP30 Q70CQ3 2/20 0.53
HRH3 Q9Y5N1 4/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
WNT3A P56704 2/20 0.48
SLC6A5 Q9Y345 1/20 0.46
HTR7 P34969 1/20 0.45
KDM5A P29375 1/20 0.45
MLNR O43193 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
SCHEMBL1366139 0.89 HPGDS (0.51) HPGDSHRH3DRD2DRD4SLC6A5
SCHEMBL2071938 0.87 HPGDS (0.66) HPGDSUSP30DRD2DRD4WNT3A
SCHEMBL2071441 0.87 HPGDS (0.68) HPGDSUSP30DRD2DRD4WNT3A
SCHEMBL2071686 0.86 HPGDS (0.65) HPGDSUSP30DRD2DRD4WNT3A
SCHEMBL2071753 0.85 HPGDS (0.66) HPGDSUSP30DRD2DRD4WNT3A
SCHEMBL2072921 0.85 HPGDS (0.74) HPGDSUSP30HTR7GABRA5
SCHEMBL16496207 0.84 HPGDS (0.53) HPGDSUSP30WNT3AMLNRGABRA5
SCHEMBL14190145 0.84 HPGDS (0.75) HPGDSUSP30DRD2DRD4HTR7
SCHEMBL1543340 0.83 HPGDS (0.74) HPGDSUSP30GABRA5
SCHEMBL2070958 0.83 HPGDS (0.63) HPGDSUSP30DRD2DRD4WNT3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
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 (2 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 984/4885USP30 4416/4885HRH3 707/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885USP30 4477/4885HRH3 166/4885

“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.