SCHEMBL396843

SCHEMBL396843

CC(C)(C)OC(=O)N1CCC(C(=O)O)(C2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
RECQL P46063 1/20 0.43
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PKM P14618 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MEN1 O00255 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
SCHEMBL4609802 0.99 EPHX1 (0.51) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL2926865 0.88 HPGD (0.51) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL19410867 0.88 HPGD (0.50) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL31170374 0.87 HPGD (0.48) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL23439148 0.86 EPHX1 (0.50) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL31567046 0.85 HPGD (0.41) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL6507349 0.85 EPHX1 (0.52) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL31170608 0.84 HPGD (0.47) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL1310084 0.83 EPHX1 (0.48) EPHX1HPGDUSP2SMN1; SMN2GPR119
SCHEMBL4610629 0.83 EPHX1 (0.48) EPHX1HPGDUSP2SMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
CN-102356065-A Piperidine derivatives as nk3 receptor antagonists HOFFMANN LA ROCHE 2012-02-15 CN disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 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 (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-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 EPHX1 3399/4885HPGD 2437/4885USP2 286/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 EPHX1 2108/4885HPGD 1256/4885USP2 4275/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 EPHX1 3399/4885HPGD 2437/4885USP2 286/4885

“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.