SCHEMBL1438166

SCHEMBL1438166

COc1cc(C2CNCCO2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
ALOX5 P09917 1/20 0.54
PTPN1 P18031 1/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
CYP3A4 P08684 1/20 0.49
QDPR P09417 1/20 0.48

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
SCHEMBL5948346 0.84 DRD2 (0.50) DRD2DRD3
SCHEMBL17632965 0.82 DRD2 (0.65) DRD2DRD3QDPR
SCHEMBL29032457 0.82 DRD2 (0.48) DRD2DRD3
SCHEMBL1438822 0.81 DRD2 (0.60) DRD2DRD3
SCHEMBL25883815 0.81 SLC6A2 (0.47) DRD2DRD3
SCHEMBL28598007 0.80 DRD2 (0.46) DRD2DRD3
SCHEMBL28576947 0.80 DRD2 (0.46) DRD2DRD3
SCHEMBL30754397 0.79 PPARD (0.71) ALOX5PTPN1PPARGPPARDCYP3A4
SCHEMBL13317169 0.79 PPARD (0.71) ALOX5PTPN1PPARGPPARDCYP3A4
SCHEMBL11588846 0.78 PTPN1 (0.57) ALOX5PTPN1PPARGPPARDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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 (2 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DRD2 430/4885DRD3 246/4885ALOX5 1172/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 DRD2 520/4885DRD3 302/4885ALOX5 1244/4885

“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.