SCHEMBL6850366

SCHEMBL6850366

ClN[C@@H]1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
BCHE P06276 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ACHE P22303 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR6 P50406 1/20 0.54
FADS1 O60427 1/20 0.54
SLC18A3 Q16572 1/20 0.51
KDM1A O60341 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13618841 1.00 PDPK1 (0.66) PDPK1CA1CA2MAOAMAOB
SCHEMBL8824939 0.88 ALDH1A1 (0.58) PDPK1ADRA2BADRA2CADRA1ATAS1R3
SCHEMBL3539943 0.88 ALDH1A1 (0.58) PDPK1ADRA2BADRA2CADRA1ATAS1R3
SCHEMBL2322457 0.83 PDPK1 (0.70) PDPK1CA1CA2MAOAMAOB
Hydrochloric Acid SCHEMBL7123292 0.81 PDPK1 (0.68) PDPK1CA1CA2MAOAMAOB
SCHEMBL6337843 0.80 CA1 (0.71) PDPK1CA1CA2MAOAMAOB
SCHEMBL19508305 0.79 PDPK1 (0.66) PDPK1CA1CA2MAOAMAOB
SCHEMBL20354303 0.79 PDPK1 (0.66) PDPK1CA1CA2MAOAMAOB
SCHEMBL61508 0.79 PDPK1 (1.00) PDPK1CA1CA2MAOAMAOB
SCHEMBL2321988 0.79 PDPK1 (0.66) PDPK1CA1CA2MAOAMAOB

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-20110218361-A1 METHOD FOR PRODUCING COMPOUND FOR PREPARATION OF ANTI-PARKINSON'S DISEASE DRUG EVERLIGHT USA, INC. (US) 2011-09-08 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-20110218361-A1 METHOD FOR PRODUCING COMPOUND FOR PREPARATION OF ANTI-PARKINSON'S DISEASE DRUG PARK7, RAB35, RAB7A PDPK1 814/4885CA1 4684/4885CA2 4750/4885

“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.