SCHEMBL20608209

SCHEMBL20608209

c1ccc2c(c1)CC[C@@H]2NC1CCCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.62
PDPK1 O15530 1/20 0.58
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
KDM1A O60341 1/20 0.54
EPHX1 P07099 1/20 0.54
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR6 P50406 1/20 0.49
FADS1 O60427 1/20 0.45
GRIN2B Q13224 1/20 0.45
PRCP P42785 1/20 0.42
RB1 P06400 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL20608227 1.00 SLC18A3 (0.62) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL20321172 1.00 SLC18A3 (0.62) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL22139619 0.91 EPHX1 (0.64) SLC18A3PDPK1EPHX1BCHEACHE
SCHEMBL9226618 0.91 EPHX1 (0.60) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL2322457 0.85 PDPK1 (0.70) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL5690934 0.84 SLC18A3 (0.50) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL20061132 0.84 SLC18A3 (0.79) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL20061144 0.84 SLC18A3 (0.79) SLC18A3PDPK1MAOAMAOBKDM1A
SCHEMBL5690967 0.83 PDPK1 (0.54) SLC18A3PDPK1MAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL7123292 0.83 PDPK1 (0.68) SLC18A3PDPK1MAOAMAOBKDM1A

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-20190009259-A1 LIGANDS AND CATALYSTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-10 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-20190009259-A1 LIGANDS AND CATALYSTS LSS, DCXR, CYP2F1 SLC18A3 3044/4885PDPK1 4610/4885MAOA 776/4885

“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.