SCHEMBL17761209

SCHEMBL17761209

Cc1ccc([C@H](CC(N)=O)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.50
▸ CYP2C19 P33261 1/20 0.47
▸ ACHE P22303 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MITF O75030 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ DCAF1 Q9Y4B6 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL12836119 1.00 FFAR1 (0.50) FFAR1CYP2C19ACHEALOX5MEN1
SCHEMBL9155662 0.94 MEN1 (0.47) FFAR1CYP2C19ACHEALOX5MEN1
SCHEMBL28469916 0.85 FFAR1 (0.51) FFAR1CYP2C19MEN1KMT2ALMNA
SCHEMBL17761361 0.83 FFAR1 (0.50) FFAR1CYP2C19MEN1KMT2ALMNA
SCHEMBL17761370 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL17761367 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL12836112 0.83 FFAR1 (0.50) FFAR1CYP2C19MEN1KMT2ALMNA
SCHEMBL12836109 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL17761387 0.83 FFAR1 (0.50) FFAR1CYP2C19MEN1KMT2ALMNA
SCHEMBL4180738 0.83 FFAR1 (0.61) FFAR1CYP2C19MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 — — 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-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 FFAR1 553/4885CYP2C19 2921/4885ACHE 34/4885

“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.

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