SCHEMBL18381376

SCHEMBL18381376

O=C(O)CCCC(=O)NC(CO)Cc1cnc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ CNR2 P34972 1/20 0.55
▸ TBXAS1 P24557 1/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ GABRR1 P24046 1/20 0.44
▸ GABRR2 P28476 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL19059589 0.84 FAAH (0.56) FAAHCNR1CNR2TBXAS1SLC6A5
SCHEMBL2195381 0.84 CYP3A4 (0.56) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL14152015 0.84 CYP3A4 (0.56) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL2178184 0.84 CYP3A4 (0.56) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL19059536 0.83 SLC6A5 (0.52) FAAHCNR1CNR2TBXAS1SLC6A5
SCHEMBL19051550 0.82 SLC15A2 (0.61) FAAHCNR1CNR2TBXAS1SLC6A5
SCHEMBL2199277 0.82 FAAH (0.47) FAAHCNR1CNR2SLC6A5CYP3A4
SCHEMBL19085694 0.81 SLC15A2 (0.53) FAAHCNR1CNR2CYP3A4SLC7A5
SCHEMBL17325320 0.81 SLC6A5 (0.55) FAAHCNR1CNR2TBXAS1SLC6A5
SCHEMBL19059414 0.81 SLC6A5 (0.70) FAAHCNR1CNR2TBXAS1SLC6A5

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-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
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 — — EP 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 FAAH 271/4885CNR1 1805/4885CNR2 1650/4885

“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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