SCHEMBL4145169

SCHEMBL4145169

O=C1CC2CCC(C1)N2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD11B1 P28845 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TEAD1 P28347 2/20 0.40
CHRM5 P08912 1/20 0.40
TRAP1 Q12931 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
P2RX3 P56373 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 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
SCHEMBL9413133 0.87 KDM4E (0.42) LTA4HKDM4EALDH1A1HSD11B1HCRTR1
SCHEMBL6153609 0.82 DRD2 (0.50) LTA4HALDH1A1DRD2
SCHEMBL30833207 0.81 LTA4H (0.48) LTA4HKDM4EALDH1A1HSD11B1CYP3A4
SCHEMBL17562365 0.79 KMT2A (0.55) ALDH1A1MAPTSIGMAR1
SCHEMBL1427493 0.79 OPRM1 (0.39) KDM4EALDH1A1CHRM5ACHESIGMAR1
SCHEMBL14780037 0.79 AR (0.41)
SCHEMBL719296 0.78 CHRM2 (0.53) ALDH1A1CHRM5SIGMAR1
SCHEMBL29691892 0.78 CHRM2 (0.53) ALDH1A1CHRM5SIGMAR1
SCHEMBL19364501 0.78 CHRM2 (0.53) ALDH1A1CHRM5SIGMAR1
SCHEMBL707808 0.78 CHRM2 (0.53) ALDH1A1CHRM5SIGMAR1

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
US-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES MERIAL LIMITED 2009-03-26 US disclosed
EP-1692939-A1 Pesticidal substituted piperidines Bayer CropScience S.A. (FR) 2006-08-23 EP disclosed
WO-2005058317-A1 GLYCINE TRANSPORTER-1 INHIBIRORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
WO-2005058317-A1 GLYCINE TRANSPORTER-1 INHIBIRORS GLAXO GROUP LIMITED (GB) 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-20090082389-A1 PESTICIDAL SUBSTITUTED PIPERIDINES PIR, ACHE, PREP LTA4H 811/4885KDM4E 1025/4885ALDH1A1 262/4885

“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.