SCHEMBL19059622

SCHEMBL19059622

COC(=O)C(Cc1cnc[nH]1)NC(=O)CCC(O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.49
▸ CCR2 P41597 2/20 0.48
▸ HTR1D P28221 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR1E P28566 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ SLC15A2 Q16348 1/20 0.45
▸ ITGB2 P05107 2/20 0.44
▸ ICAM1 P05362 2/20 0.44
▸ ITGAL P20701 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ GFRA3 O60609 1/20 0.41

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
SCHEMBL19051483 0.86 SLC6A5 (0.53) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL16551861 0.86 CYP3A4 (0.52) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL18381307 0.86 CYP3A4 (0.52) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL19051460 0.84 SLC15A2 (0.54) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL29002721 0.84 HTR1D (0.48) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL27926539 0.83 SLC6A5 (0.70) SLC6A5CCR2HRH3
SCHEMBL5808674 0.82 HTR1D (0.51) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL7598348 0.82 ITGB2 (0.55) SLC6A5HTR1DHTR2CHTR1EHTR2B
SCHEMBL28778341 0.81 SLC6A5 (0.46) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL29272055 0.81 SLC6A5 (0.63) SLC6A5CCR2EPHX2

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-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 3373/4885CCR2 318/4885HTR1D 3733/4885

“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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