SCHEMBL20203033

SCHEMBL20203033

O=C1OC[C@@H]2CCCCC12c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.47
SLC6A3 Q01959 20/20 0.47
SLC6A2 P23975 12/20 0.47
CYP2D6 P10635 10/20 0.47
KCNH2 Q12809 10/20 0.47
CYP1A1 P04798 7/20 0.47
CYP1A2 P05177 7/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C19 P33261 6/20 0.46
CYP2C9 P11712 2/20 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
SCHEMBL20210205 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL2469280 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL13272953 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL2497812 0.96 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL5142999 0.96 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL14430283 0.96 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL5143002 0.96 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL728182 0.81 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL730454 0.81 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL2479206 0.81 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2

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-10428021-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2019-10-01 US disclosed
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2018-05-31 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 (2 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-10428021-B2 Triple reuptake inhibitors and methods of their use SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 5/4885SLC6A2 2/4885
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 5/4885SLC6A2 2/4885

“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.