SCHEMBL20599800

SCHEMBL20599800

CC1(C)OB(c2cccc(O[C@H](CCCl)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.44
LIPG Q9Y5X9 4/20 0.39
LPL P06858 3/20 0.39
DGAT1 O75907 1/20 0.35
FFAR1 O14842 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SLC6A9 P48067 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL20599801 1.00 SLC6A4 (0.44) SLC6A4LIPGLPLDGAT1FFAR1
SCHEMBL20600222 0.86 SLC6A4 (0.60) SLC6A4CACNA2D1HRH3
SCHEMBL20622437 0.86 SLC6A4 (0.60) SLC6A4CACNA2D1HRH3
SCHEMBL20600224 0.86 SLC6A4 (0.60) SLC6A4CACNA2D1HRH3
SCHEMBL20600192 0.82 SLC6A9 (0.43) SLC6A4SLC6A9HRH3
SCHEMBL20600172 0.82 LPL (0.41) LIPGLPLCACNA2D1
SCHEMBL20600194 0.82 SLC6A4 (0.44) SLC6A4CACNA2D1
SCHEMBL16382831 0.81 LIPG (0.44) SLC6A4LIPGLPLDGAT1
SCHEMBL20599772 0.78 SLC6A9 (0.42) SLC6A9
SCHEMBL251859 0.76 LIPG (0.44) LIPGLPL

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
EP-3645528-A1 COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-05-06 EP disclosed
US-20200123115-A1 COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-04-23 US disclosed
WO-2019002173-A1 COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 WO 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-20200123115-A1 COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN TRPV1, CACNG2, CACNA1B SLC6A4 1226/4885LIPG 3200/4885LPL 3345/4885

“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.