SCHEMBL5484730

SCHEMBL5484730

CC(C)(C)OC(=O)N1CCCC(C2CNc3ccc(F)cc32)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1F P30939 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
BRD3 Q15059 2/20 0.41
BTK Q06187 1/20 0.40
PAK1 Q13153 1/20 0.40
LIPE Q05469 2/20 0.39
USP30 Q70CQ3 1/20 0.39
HPGDS O60760 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NTRK1 P04629 2/20 0.39

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
SCHEMBL31357997 0.78 HDAC1 (0.42) HDAC1HDAC2BRD3LIPEUSP30
SCHEMBL5445671 0.73 PROKR1 (0.42) HDAC1HDAC2PAK1CCNT1CDK9
SCHEMBL7710704 0.72 GPR119 (0.56) GPR119
SCHEMBL14305529 0.72 CDK9 (0.44) CCNT1CDK9JAK1
SCHEMBL13655885 0.71 NTRK1 (0.49) HDAC1HDAC2BRD3PAK1GPR119
SCHEMBL22810473 0.71 PDE4B (0.52) HDAC1HDAC2USP30HPGDSJAK2
SCHEMBL19404908 0.71 SMN1; SMN2 (0.54) HDAC1HDAC2BRD3GPR119
SCHEMBL16144654 0.70 MEN1 (0.50) USP30
SCHEMBL10127641 0.70 GPR119 (0.42) USP30HPGDSGPR119JAK2JAK1
SCHEMBL25047542 0.70 MEN1 (0.55) USP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 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-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 HTR1A 206/4885HTR1D 46/4885HTR1F 271/4885

“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.