SCHEMBL3579841

SCHEMBL3579841

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.48
▸ PLG P00747 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ ABAT P80404 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ OAT P04181 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 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
SCHEMBL18208189 1.00 GABRR1 (0.48) GABRR1PLGPLATLMNAACE
SCHEMBL3589189 0.84 KDM4E (0.32) GABRR1PLGPLATLMNA
SCHEMBL13887543 0.84 KDM4E (0.32) GABRR1PLGPLATLMNA
SCHEMBL26649407 0.81 GABRR1 (0.46) GABRR1PLGPLATLMNAABAT
SCHEMBL29830250 0.81 GABRR1 (0.46) GABRR1PLGPLATLMNAABAT
SCHEMBL4835506 0.81 ACE (0.42) GABRR1PLGPLATLMNAACE
SCHEMBL691392 0.81 GABRR1 (0.46) GABRR1PLGPLATLMNAABAT
Hydrochloric Acid SCHEMBL23699865 0.79 GABRR1 (0.44) GABRR1PLGPLATLMNAABAT
Hydrochloric Acid SCHEMBL11818658 0.79 ACE (0.41) GABRR1PLGPLATLMNAACE
SCHEMBL14504662 0.78 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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