SCHEMBL288806

SCHEMBL288806

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
SCHEMBL1120178 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL636538 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1GABRP
Hydrochloric Acid SCHEMBL14321732 0.97 KDM4E (0.39) SLC22A6GABRR1LMNATDP1GABRP
Water SCHEMBL31634615 0.97 SLC22A6 (0.38) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL7344981 0.82 ADRA1A (0.40) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL289017 0.80 ALDH1A1 (0.50) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL5144229 0.80 ALDH1A1 (0.50) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL6776410 0.80 CYP2D6 (0.37) SLC22A6GABRR1LMNATDP1GABRP
SCHEMBL15774508 0.79 ECE1 (0.33) LMNATDP1ALDH1A1MAPTPTGS1
SCHEMBL13007435 0.79 ECE1 (0.33) LMNATDP1ALDH1A1MAPTPTGS1

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
CN-118852152-A Pyridazinone compound and preparation method and application thereof 国科大杭州高等研究院 2024-10-29 CN disclosed
WO-2024022294-A9 SPIROCHIRAL PLATINUM(II) AND PALLADIUM(II) COMPLEX CIRCULARLY POLARIZED LUMINESCENT MATERIAL AND USE THEREOF 浙江工业大学 2024-09-26 WO disclosed
CN-117510547-A Spiro chiral platinum (II) and palladium (II) complex circularly polarized luminescent material and application thereof 浙江工业大学 2024-02-06 CN disclosed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 WO 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 (5 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A SLC22A6 2807/4885GABRR1 335/4885LMNA 2246/4885
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP SLC22A6 1255/4885GABRR1 3529/4885LMNA 3939/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS SLC22A6 3858/4885GABRR1 631/4885LMNA 2799/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 SLC22A6 3167/4885GABRR1 1181/4885LMNA 2161/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS SLC22A6 3858/4885GABRR1 631/4885LMNA 2799/4885

“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.