SCHEMBL5869711

SCHEMBL5869711

ClCC[C@H](Oc1ccc2sccc2c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.45
MRGPRX4 Q96LA9 2/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC7A5 Q01650 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNK2 O95069 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL5869336 1.00 SLC6A4 (0.45) SLC6A4MRGPRX4CTNNB1WNT3ACA12
SCHEMBL5869289 0.90 SLC6A4 (0.42) SLC6A4MRGPRX4SLC6A9SLC7A5SLC6A2
SCHEMBL5869273 0.90 SLC6A4 (0.42) SLC6A4MRGPRX4SLC6A9SLC7A5SLC6A2
SCHEMBL6006366 0.82 SLC6A4 (0.49) SLC6A4SLC7A5SLC6A2SLC6A3KCNK2
Oxalic Acid SCHEMBL5869606 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL5869405 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5664924 0.77 SLC6A4 (0.70) SLC6A4SLC6A9SLC6A2SLC6A3
Oxalic Acid SCHEMBL6561979 0.76 MRGPRX4 (0.42) SLC6A4MRGPRX4CTNNB1WNT3ACA12
SCHEMBL6004073 0.75 SLC6A4 (0.61) SLC6A4SLC7A5SLC6A2SLC6A3KCNK2
SCHEMBL8202643 0.75 SLC6A4 (0.61) SLC6A4SLC7A5SLC6A2SLC6A3KCNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 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-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 SLC6A4 7/4885MRGPRX4 1237/4885CTNNB1 504/4885

“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.