SCHEMBL16990199

SCHEMBL16990199

CCCCOC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
AGTR2 P50052 10/20 0.49
ECE1 P42892 1/20 0.43
BCHE P06276 1/20 0.42
BDKRB2 P30411 1/20 0.41
ACE P12821 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ABCB1 P08183 1/20 0.40
POLB P06746 1/20 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
SCHEMBL6017192 0.91 TSHR (0.52) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL6515997 0.87 AGTR2 (0.56) AGTR2BDKRB2POLB
SCHEMBL15241314 0.87 AGTR2 (0.56) AGTR2BDKRB2POLB
SCHEMBL29921 0.87 AGTR2 (0.56) AGTR2BDKRB2POLB
SCHEMBL6281354 0.87 AGTR2 (0.56) AGTR2BDKRB2POLB
SCHEMBL6936885 0.86 AGTR2 (0.46) AGTR2POLB
SCHEMBL12849519 0.86 AGTR2 (0.46) AGTR2POLB
SCHEMBL23532545 0.86 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4725266 0.84 CYP19A1 (0.45) ALDH1A1ECE1
SCHEMBL30580462 0.84 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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-9382258-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2016-07-05 US disclosed
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. 2015-08-13 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-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA TSHR 4461/4885TDP1 2600/4885L3MBTL1 3890/4885

“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.