SCHEMBL5869614

SCHEMBL5869614

CNC(C[C@H](Oc1ccc2sccc2c1)c1ccccc1)OC(=O)C(=O)OC(C[C@H](Oc1ccc2sccc2c1)c1ccccc1)NC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
SLC6A4 P31645 9/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 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
SCHEMBL5869414 1.00 MRGPRX4 (0.41) MRGPRX4CTNNB1WNT3ASLC6A4MEN1
SCHEMBL16347642 0.80 SLC6A9 (0.47) SLC6A4MEN1KMT2A
Oxalic Acid SCHEMBL6561979 0.80 MRGPRX4 (0.42) MRGPRX4CTNNB1WNT3ASLC6A4MEN1
SCHEMBL5869517 0.80 F9 (0.41) SLC6A4
SCHEMBL5869366 0.80 SLC6A2 (0.39) SLC6A4MEN1KMT2A
SCHEMBL5869367 0.80 SLC6A2 (0.39) SLC6A4MEN1KMT2A
SCHEMBL5869267 0.80 F9 (0.41) SLC6A4
SCHEMBL6560839 0.80 SLC6A2 (0.39) SLC6A4MEN1KMT2A
Oxalic Acid SCHEMBL5869606 0.79 SLC6A4 (0.59) SLC6A4MEN1KMT2A
Oxalic Acid SCHEMBL5869405 0.79 SLC6A4 (0.59) SLC6A4MEN1KMT2A

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 MRGPRX4 1237/4885CTNNB1 504/4885WNT3A 879/4885

“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.