SCHEMBL3468098

SCHEMBL3468098

CC(C)(C)OC(=O)c1cccc(C2CCN(Cc3ccccc3)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
THRB P10828 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
CHRM4 P08173 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL7890643 0.82 HTR1A (0.42) DRD2DRD4THRBGAASMN1; SMN2
SCHEMBL13490509 0.82 BCHE (0.51) CYP3A4CYP2C9DRD2DRD4DRD3
SCHEMBL4290250 0.79 CNR2 (0.46) DRD2DRD4THRBGAASMN1; SMN2
SCHEMBL171346 0.79 CYP3A4 (0.49) CYP3A4CYP2C9DRD2DRD4MAPT
SCHEMBL3466225 0.78 GPR119 (0.48) THRBGAASMN1; SMN2MAPT
SCHEMBL13490456 0.74 ACKR3 (0.50) DRD2DRD4CHRM4DRD3
SCHEMBL28943257 0.73 SCN4A (0.55) SCN4A
SCHEMBL4299114 0.73 CNR2 (0.46) DRD2DRD4HTR1A
SCHEMBL2593710 0.73 CYP2D6 (0.43) CYP3A4CYP2C9CHRM4
SCHEMBL2593708 0.73 CYP2D6 (0.43) CYP3A4CYP2C9CHRM4

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
EP-2265600-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS Pfizer Inc. (US) 2010-12-29 EP disclosed
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

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 SCN4A 1369/4885CYP3A4 319/4885CYP2C9 397/4885

“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.