SCHEMBL4294398

SCHEMBL4294398

CC(C)(C)OC(=O)c1cccc(C2=CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
HTR2C P28335 5/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
QDPR P09417 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL7934174 0.86 SCN9A (0.40) SCN9ASIGMAR1HTR2CPIM1PIM3
SCHEMBL1942147 0.80 SIGMAR1 (0.47) SCN9ASIGMAR1HTR2CPIM1PIM3
SCHEMBL4299295 0.77 HTR1A (0.43) QDPR
SCHEMBL28501074 0.77 SIGMAR1 (0.42) SCN9ASIGMAR1HTR2CPIM1PIM3
SCHEMBL3466802 0.75 GRM1 (0.57) NAMPT
SCHEMBL1939215 0.73 CNR2 (0.46) SIGMAR1PIM1
Hydrochloric Acid SCHEMBL1937819 0.72 CNR2 (0.46) HTR2CPIM1
SCHEMBL7105261 0.72 ADRA1A (0.39) SIGMAR1HTR2CQDPRCDK9
SCHEMBL30469414 0.72 ADRA1A (0.39) SIGMAR1HTR2CQDPRCDK9
SCHEMBL24581366 0.72 CCR1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 SCN9A 2100/4885SIGMAR1 214/4885HTR2C 18/4885

“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.