SCHEMBL20061132

SCHEMBL20061132

c1ccc2c(c1)CCC2N[C@@H]1CCCC[C@H]1NC1CCc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.79
MAOA P21397 5/20 0.64
MAOB P27338 5/20 0.64
KDM1A O60341 2/20 0.64
PDPK1 O15530 1/20 0.59
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
BCHE P06276 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR6 P50406 1/20 0.50
FADS1 O60427 1/20 0.46
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL20061144 1.00 SLC18A3 (0.79) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL20061164 0.91 SLC18A3 (0.67) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL20061163 0.91 SLC18A3 (0.67) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL2322457 0.86 PDPK1 (0.70) SLC18A3MAOAMAOBKDM1APDPK1
Hydrochloric Acid SCHEMBL7123292 0.84 PDPK1 (0.68) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL20321172 0.84 SLC18A3 (0.62) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL20608209 0.84 SLC18A3 (0.62) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL20608227 0.84 SLC18A3 (0.62) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL15131188 0.83 PDPK1 (0.61) SLC18A3MAOAMAOBKDM1APDPK1
SCHEMBL18533594 0.78 KDM1A (1.00) SLC18A3MAOAMAOBKDM1APDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 SLC18A3 2196/4885MAOA 45/4885MAOB 19/4885

“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.