SCHEMBL3572854

SCHEMBL3572854

CO[C@@H]1C[C@H](C(=O)O)CC[C@H]1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.43
▸ PLG P00747 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ ABAT P80404 2/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ENPEP Q07075 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ APLNR P35414 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18208837 1.00 GABRR1 (0.43) GABRR1PLGPLATLMNAACE
SCHEMBL18216018 0.85 CHRNB2 (0.39) ANPEP
SCHEMBL7806060 0.83 ACE (0.38) GABRR1PLGPLATLMNAACE
SCHEMBL19408614 0.83 GABRR1 (0.41) GABRR1PLGPLATLMNAABAT
SCHEMBL7808917 0.80 ACE (0.36) GABRR1PLGPLATLMNAACE
SCHEMBL17814314 0.76 BTK (0.37) GABRR1PLGPLATLMNAACE
SCHEMBL19741957 0.76 BTK (0.37) GABRR1PLGPLATLMNAACE
SCHEMBL4940146 0.74 ACE (0.35) GABRR1PLGPLATLMNAACE
SCHEMBL22861457 0.74 ACE (0.35) GABRR1PLGPLATLMNAACE
SCHEMBL18356891 0.73 GABRR1 (0.55) GABRR1PLGPLATLMNAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 — — WO disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 — — US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 — — US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 — — EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 — — 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 (3 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S GABRR1 2594/4885PLG 2797/4885PLAT 3321/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA GABRR1 1322/4885PLG 1680/4885PLAT 2645/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS GABRR1 2941/4885PLG 3392/4885PLAT 3350/4885

“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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