SCHEMBL324108

SCHEMBL324108

OC(CNCc1ccccc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.64
SLC16A3 O15427 1/20 0.59
LMNA P02545 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL1438054 0.88 BCHE (0.55) BCHESLC16A3
SCHEMBL3443276 0.87 CYP4F2 (0.52) BCHELMNAKMT2AMEN1SPHK2
SCHEMBL10874366 0.85 AOC3 (0.63) BCHESLC16A3LMNAKMT2AMEN1
SCHEMBL25159566 0.85 HIF1A (0.57) BCHELMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3443230 0.85 HIF1A (0.57) BCHELMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10070263 0.85 BCHE (0.58) BCHEKMT2AMEN1
SCHEMBL10070264 0.85 BCHE (0.58) BCHEKMT2AMEN1
SCHEMBL2295371 0.85 BCHE (0.64) BCHELMNA
SCHEMBL2299217 0.85 BCHE (0.64) BCHELMNA
SCHEMBL323593 0.85 BCHE (0.64) BCHELMNA

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-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 US disclosed
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 US disclosed
EP-2590954-B1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-04-13 EP disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9227960-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2016-01-05 US disclosed
CN-103080096-B Biaryl (thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2015-12-09 CN disclosed
CN-102548976-B (thio) morpholine derivatives as S1P modulators ABBVIE BAHAMAS LTD. (BS) 2015-09-09 CN disclosed
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2015-07-09 US disclosed
US-9029371-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2015-05-12 US disclosed
US-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-102548976-A (Thio) morpholine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2012-07-04 CN disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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-20130203745-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 BCHE 3532/4885SLC16A3 968/4885LMNA 3601/4885
US-20150191457-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 BCHE 3510/4885SLC16A3 1028/4885LMNA 3480/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 BCHE 3977/4885SLC16A3 4086/4885LMNA 2046/4885

“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.