SCHEMBL19059536

SCHEMBL19059536

CC(Cc1cnc[nH]1)NC(=O)CCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.52
▸ TBXAS1 P24557 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ CYP3A4 P08684 2/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ HRH3 Q9Y5N1 7/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GABRR1 P24046 1/20 0.45
▸ GABRR2 P28476 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SLC15A2 Q16348 1/20 0.45
▸ HRH4 Q9H3N8 3/20 0.44

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
SCHEMBL18381376 0.83 FAAH (0.55) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL17325320 0.82 SLC6A5 (0.55) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19059414 0.82 SLC6A5 (0.70) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19051545 0.81 SLC15A2 (0.53) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL18381256 0.81 SLC6A5 (0.57) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19059589 0.81 FAAH (0.56) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19051543 0.81 SLC6A5 (0.54) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19051597 0.81 SLC6A5 (0.52) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL19051546 0.80 SLC15A2 (0.52) SLC6A5TBXAS1FAAHCNR1CNR2
SCHEMBL14500177 0.79 HRH3 (0.44) SLC6A5CYP3A4HRH3TSHREPHX2

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
EP-3431469-A1 AMIDE COMPOUND AND USE THEREOF AS AGENT FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2019-01-23 — — EP disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 — — 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 SLC6A5 3373/4885TBXAS1 583/4885FAAH 271/4885

“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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