SCHEMBL2176160

SCHEMBL2176160

CC[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C1 Q04828 1/20 0.47
FFAR1 O14842 5/20 0.46

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
SCHEMBL2322439 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2176161 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL2178238 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL30786879 1.00 L3MBTL1 (0.50) L3MBTL1MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL13730285 0.92 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BPTGS1FFAR1
SCHEMBL2180325 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2154692 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2180203 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL2154689 0.87 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1B
SCHEMBL13731760 0.87 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102047-A1 SUBSTITUTED N-PENTANAMIDE COMPOUNDS, PREPARATION METHOD AND THE USE THEREOF TOPHARMAN SHANGHAI CO., LTD. (CN) 2016-04-14 US disclosed
US-9249084-B2 Substituted n-pentanamide compounds, preparation method and the use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-02-02 US disclosed
US-20140046074-A1 Substituted n-pentanamide compounds, preparation method and the use thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-02-13 US disclosed
CN-102477016-A Synthesis and application of intermediate of tapentadol INST MATERIA MEDICA CAMS 2012-05-30 CN disclosed
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 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 (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-20160102047-A1 SUBSTITUTED N-PENTANAMIDE COMPOUNDS, PREPARATION METHOD AND THE USE THEREOF PNMT, TPMT, HTR3A L3MBTL1 4615/4885MTNR1A 256/4885MTNR1B 160/4885
US-20140046074-A1 Substituted n-pentanamide compounds, preparation method and the use thereof PNMT, TPMT, HTR3A L3MBTL1 4583/4885MTNR1A 249/4885MTNR1B 149/4885

“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.