SCHEMBL581563

SCHEMBL581563

CC(C)C[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 14/20 1.00
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
PLAT P00750 1/20 0.32

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
SCHEMBL582019 1.00 PLG (1.00) PLGGABRA1GABRG2GABRB3GABRP
SCHEMBL582032 1.00 PLG (1.00) PLGGABRA1GABRG2GABRB3GABRP
SCHEMBL582018 1.00 PLG (1.00) PLGGABRA1GABRG2GABRB3GABRP
SCHEMBL581564 1.00 PLG (1.00) PLGGABRA1GABRG2GABRB3GABRP
Acetic Acid SCHEMBL27869810 0.94 PLG (0.88) PLGGABRA1GABRG2GABRB3GABRP
Acetic Acid SCHEMBL27869894 0.94 PLG (0.88) PLGGABRA1GABRG2GABRB3GABRP
SCHEMBL581612 0.82 PLG (1.00) PLGGABRA1GABRG2GABRB3PLAT
SCHEMBL581619 0.82 PLG (1.00) PLGGABRA1GABRG2GABRB3PLAT
SCHEMBL593007 0.82 PLG (1.00) PLGGABRA1GABRG2GABRB3PLAT
SCHEMBL581789 0.80 PLG (1.00) PLGGABRA1GABRG2GABRB3PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2018-11-29 US claimed
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2017-12-21 US claimed
EP-3233189-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS Emeriti Pharma AB (SE) 2017-10-25 EP claimed
WO-2016099397-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2016-06-23 WO claimed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US claimed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP claimed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO claimed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US claimed
US-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2018-11-29 US disclosed
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2017-12-21 US disclosed
EP-3233189-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS Emeriti Pharma AB (SE) 2017-10-25 EP disclosed
WO-2016099397-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(2H)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS EMERITI PHARMA AB (SE) 2016-06-23 WO disclosed
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20180338964-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS DPM1, SUCLG1, POLR1C PLG 1684/4885GABRA1 765/4885GABRG2 752/4885
US-20170360766-A1 3-(PIPERIDIN-4-YL)-ISOXAZOL-3(OH)-ONES FOR TREATMENT OF DERMATOLOGIC DISORDERS DPM1, SUCLG1, POLR1C PLG 1684/4885GABRA1 765/4885GABRG2 752/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 PLG 4861/4885GABRA1 237/4885GABRG2 435/4885

“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.