SCHEMBL1439119

SCHEMBL1439119

Cc1cc(OCc2ccc(Br)cc2)ccc1C1CN(CCC(=O)O)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HPD P32754 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
SLC26A4 O43511 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
S1PR5 Q9H228 4/20 0.40

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
SCHEMBL1438821 0.93 HRH3 (0.42) FFAR1MAOBMAOAHRH3HPD
SCHEMBL1438100 0.92 EGFR (0.48) FFAR1FFAR4S1PR5S1PR1KDM2B
SCHEMBL1437924 0.92 FFAR1 (0.44) FFAR1HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL1438702 0.92 S1PR5 (0.48) FFAR1S1PR5S1PR1KDM2B
SCHEMBL1437408 0.91 FFAR1 (0.48) FFAR1FFAR4MAOBMAOANPC1
SCHEMBL1438932 0.91 HRH3 (0.44) MAOBMAOAHRH3NPC1RAB9A
SCHEMBL1438072 0.91 GRIN1 (0.45) FFAR1FFAR4MAOBHRH3NPC1
SCHEMBL1439090 0.90 FFAR1 (0.45) FFAR1FFAR4HRH3S1PR5S1PR1
SCHEMBL1438059 0.90 MAOB (0.39) MAOBMAOAHRH3HPDNPC1
SCHEMBL1439561 0.89 GRIN1 (0.47) HRH3NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US claimed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP claimed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US claimed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP claimed
CN-102548976-A (Thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2012-07-04 CN claimed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO claimed
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
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
CN-102548976-A (Thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2012-07-04 CN 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 FFAR1 544/4885FFAR4 457/4885CTDSP1 2356/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 FFAR1 530/4885FFAR4 447/4885CTDSP1 1878/4885

“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.