SCHEMBL18259759

SCHEMBL18259759

O=C1NC[C@H]2C[C@@]12c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.51
SLC6A2 P23975 13/20 0.51
SLC6A4 P31645 13/20 0.51
CYP1A2 P05177 5/20 0.51
CYP2D6 P10635 5/20 0.51
KCNH2 Q12809 5/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP1A1 P04798 4/20 0.40

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
SCHEMBL17319652 1.00 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL4176760 1.00 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL11645304 0.82 MAOA (0.38) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL2494534 0.81 SLC6A4 (0.53) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL20203032 0.81 SLC6A4 (0.53) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL13272960 0.81 SLC6A4 (0.53) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL4777365 0.76 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL12459508 0.75 CACNA1F (0.39) CYP1A2KCNH2CYP2C9
SCHEMBL1963366 0.75 CACNA1F (0.39) CYP1A2KCNH2CYP2C9
SCHEMBL3984947 0.73 CYP19A1 (0.59) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6

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-20160346249-A1 USE OF AMITIFADINE, (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN METHODS AND COMPOSITIONS WITH ENHANCED EFFICACY AND REDUCED METABOLIC SIDE EFFECTS AND TOXICITY FOR TREATMENT OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS ETHISMOS RESEARCH, INC. 2016-12-01 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-20160346249-A1 USE OF AMITIFADINE, (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN METHODS AND COMPOSITIONS WITH ENHANCED EFFICACY AND REDUCED METABOLIC SIDE EFFECTS AND TOXICITY FOR TREATMENT OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS CYP2D6, MAOB, HTR1A SLC6A3 68/4885SLC6A2 97/4885SLC6A4 89/4885

“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.