SCHEMBL5445671

SCHEMBL5445671

CC(C)(C)OC(=O)N1CCCC(C2CN(C(=O)c3ccnc(Cl)c3)c3ccc(F)cc32)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.42
GFER P55789 1/20 0.42
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NTRK1 P04629 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAK1 Q13153 1/20 0.37

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
SCHEMBL5451686 0.76 PROKR1 (0.43) PROKR1GFER
SCHEMBL14411902 0.75 PROKR1 (0.42) PROKR1GFER
SCHEMBL5484730 0.73 HTR1A (0.44) CCNT1CDK9HDAC1HDAC2NTRK1
SCHEMBL2351817 0.73 HDAC1 (0.40) CCNT1CDK9HDAC1HDAC2MEN1
SCHEMBL6179731 0.71 MEN1 (0.61) PROKR1GFERMEN1KMT2A
SCHEMBL14411896 0.70 PROKR1 (0.41) PROKR1GFER
SCHEMBL31357997 0.69 HDAC1 (0.42) HDAC1HDAC2
SCHEMBL14411899 0.69 GFER (0.39) PROKR1GFER
SCHEMBL14411900 0.69 PROKR1 (0.38) PROKR1GFERCDK9
SCHEMBL190408 0.68 CHEK2 (0.51) PROKR1

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-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
EP-1732385-A1 USE OF (3-(1-(3-PHENYL-PROPENYL)-PIPERIDIN-4-YL)-2,3-DIHYDRO-INDOL-1-YL)-(PYRIDIN-4-YL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES Syngenta Participations AG (CH) 2006-12-20 EP disclosed
WO-2005058035-A1 USE OF (3-(1-(3-PHENYL-PROPENYL)-PIPERIDIN-4-YL)-2,3-DIHYDRO-INDOL-1-YL)-(PYRIDIN-4-YL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO 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 PROKR1 518/4885GFER 2676/4885CCNT1 503/4885

“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.