SCHEMBL18095953

SCHEMBL18095953

CCOC(=O)CCCN.CS(=O)(=O)O

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.81
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL208141 0.90
SCHEMBL4650134 0.88 CYP1A2 (0.61) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL2656136 0.88 CYP1A2 (0.95) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL572907 0.88 CYP1A2 (0.95) CYP1A2GAAMGAMSIMGAM2
Water SCHEMBL28807419 0.88 CYP1A2 (0.95) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1093065 0.84 CYP1A2 (0.87) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2967294 0.82 CYP1A2 (0.83) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7547097 0.82 CYP1A2 (0.83) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1463911 0.82 CYP1A2 (0.83) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3284074 0.82 CYP1A2 (0.83) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332478-B2 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol H. LUNDBECK A/S (DK) 2022-05-17 US disclosed
CN-107428776-B Production of 4,5,6, 7-tetrahydroisoxazolo [5,4-c ] pyridin-3-ol H.隆德贝克有限公司 2020-10-23 CN disclosed
US-20200223865-A1 MANUFACTURE OF 4,5,6,7-TETRAHYDROISOXAZOLO[5,4-C]PYRIDIN-3-OL H. LUNDBECK A/S (DK) 2020-07-16 US disclosed
US-10626123-B2 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol H. LUNDBECK A/S (DK) 2020-04-21 US disclosed
EP-3274331-B1 MANUFACTURE OF 4,5,6,7-TETRAHYDROISOZAXOLO[5,4-C]PYRIDIN-3-OL H LUNDBECK AS (DK) 2020-02-26 EP disclosed
US-20180065984-A1 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol H. LUNDBECK A/S (DK) 2018-03-08 US disclosed
EP-3274331-A1 MANUFACTURE OF 4,5,6,7-TETRAHYDROISOZAXOLO[5,4-C]PYRIDIN-3-OL H. Lundbeck A/S (DK) 2018-01-31 EP disclosed
CN-107428776-A Production of 4,5,6, 7-tetrahydroisoxazolo [5,4-c ] pyridin-3-ol H.隆德贝克有限公司 2017-12-01 CN disclosed
WO-2016150953-A1 MANUFACTURE OF 4,5,6,7-TETRAHYDROISOZAXOLO[5,4-C]PYRIDIN-3-OL H. LUNDBECK A/S (DK) 2016-09-29 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 (4 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-11332478-B2 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol GABRP, GABRD, GABRA5 CYP1A2 55/4885GAA 4307/4885MGAM 4684/4885
US-10626123-B2 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol GABRP, GABRA5, GABRD CYP1A2 53/4885GAA 4320/4885MGAM 4694/4885
US-20200223865-A1 MANUFACTURE OF 4,5,6,7-TETRAHYDROISOXAZOLO[5,4-C]PYRIDIN-3-OL GABRP, GABRD, GABRA5 CYP1A2 55/4885GAA 4307/4885MGAM 4684/4885
US-20180065984-A1 Manufacture of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol GABRP, GABRA5, GABRD CYP1A2 53/4885GAA 4320/4885MGAM 4694/4885

“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.