SCHEMBL19082743

SCHEMBL19082743

CC(C)(C)OC(=O)N1C2CC[C@@H]1C[C@H](O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 1.00
CHRM1 P11229 1/20 1.00
CHRM3 P20309 1/20 1.00
PREP P48147 4/20 0.52
HSD11B1 P28845 2/20 0.45
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
GPR119 Q8TDV5 3/20 0.40
NR1H2 P55055 1/20 0.39
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT2B Q92831 1/20 0.37
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL6761192 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL10106331 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL10106427 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL1023170 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL641026 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL219189 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL219188 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL22433392 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL20636193 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL6157512 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2020-09-17 US disclosed
US-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS Glaxosmithline Intellectual Property Development Limited (GB) 2017-07-06 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 (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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CHRM2 1180/4885CHRM1 492/4885CHRM3 1795/4885
US-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 CHRM2 3706/4885CHRM1 3744/4885CHRM3 2833/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CHRM2 1180/4885CHRM1 492/4885CHRM3 1795/4885
US-20200291003-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS NLRP3, NOD1, NLRP1 CHRM2 1374/4885CHRM1 1202/4885CHRM3 1494/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 CHRM2 265/4885CHRM1 567/4885CHRM3 222/4885

“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.