SCHEMBL323101

SCHEMBL323101

CC(O)(CN)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MAOB P27338 3/20 0.54
▸ MAPT P10636 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.50
▸ NR4A2 P43354 2/20 0.49
▸ LTA4H P09960 2/20 0.49
▸ RXRA P19793 1/20 0.49

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
Hydrochloric Acid SCHEMBL9762981 0.98 MAOB (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15457047 0.84 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10924923 0.84 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5321852 0.84 TAAR1 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17024339 0.84 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4602365 0.83 LMNA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15457046 0.83 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7989351 0.81 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7899077 0.80 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10013799 0.80 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 51 patents — showing the first 20. 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-9662337-B2 Bisaryl (thio)morpholine derivatives as S1P modulators ABBVIE B.V. (NL) 2017-05-30 — — US disclosed
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
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2016-06-02 — — 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
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-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 — — WO disclosed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 — — EP disclosed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 — — EP disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 — — US disclosed
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 — — EP disclosed
US-20040063680-A1 Method of treating stroke CLEMENS JAMES ALLEN (US) 2004-04-01 — — US disclosed
EP-1330233-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2003-07-30 — — EP disclosed
WO-2002032389-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2002-04-25 — — WO disclosed
EP-1183232-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-06 — — EP disclosed
WO-2000066546-A2 MONOFLUOROALKYL DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 — — 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 LMNA 1685/4885CYP1A2 1939/4885PTGS1 249/4885
US-20160151376-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 LMNA 2046/4885CYP1A2 1883/4885PTGS1 777/4885

“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.

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