SCHEMBL69181

SCHEMBL69181

COc1cc(CCNC(=O)OC(C)(C)C)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
ALOX5 P09917 1/20 0.57
OR51E2 Q9H255 1/20 0.57
TYR P14679 1/20 0.53
ACHE P22303 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL29998779 1.00 MTNR1A (0.59) MTNR1AMTNR1BALOX5OR51E2TYR
SCHEMBL8383176 0.90 CYP1A2 (0.51) TSHRLMNACA1CA2CA12
SCHEMBL31432851 0.89 CA12 (0.64) CA1CA2CA12CA9
SCHEMBL903446 0.89 CA12 (0.64) CA1CA2CA12CA9
SCHEMBL15103325 0.88 MTNR1A (0.66) MTNR1AMTNR1BALOX5OR51E2TYR
SCHEMBL2574214 0.86 CYP1A2 (0.56) TSHR
SCHEMBL30423117 0.86 MAPT (0.63) TYRACHETSHRMAPK1LMNA
SCHEMBL233765 0.86 MAPT (0.63) TYRACHETSHRMAPK1LMNA
SCHEMBL6678480 0.86 CA1 (0.50) LMNACA1CA2CA12CA9
SCHEMBL5355912 0.86 CA12 (0.50) CA1CA2CA12CA9

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326227-A1 STABILIZED FORMULATIONS ModernaTX, Inc. (US) 2024-02-28 EP disclosed
EP-3564233-B1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2023-05-03 EP disclosed
EP-4101849-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2022-12-14 EP disclosed
US-20220387428-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2022-12-08 US disclosed
US-20220370616-A1 STABILIZED FORMULATIONS ARES CAPITAL CORPORATION, AS AGENT 2022-11-24 US disclosed
WO-2022226277-A1 STABILIZED FORMULATIONS MODERNATX, INC. (US) 2022-10-27 WO disclosed
US-11229648-B2 1,4-disubstituted pyridazine analogs thereof and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2022-01-25 US disclosed
EP-2885288-B1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2021-10-06 EP disclosed
CN-109942593-B Total synthesis method of racemic tetrandrine 浙江金华康恩贝生物制药有限公司 2021-08-27 CN disclosed
US-20210230155-A1 PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE HETERO LABS LIMITED (IN) 2021-07-29 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
EP-1963280-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2008-09-03 EP disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 WO disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 WO disclosed
US-6787670-B1 SUCH AS N-(4-(CYANOMETHOXY)-3-METHOXYPHENETHYL)-2-(METHOXY-IMINO)-2-(5,6,7,8 -TETRAHYDRO-2-NAPHTHYL)ACETAMIDE; PREVENTING PLANT DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2004-09-07 US 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 (5 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-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1E, CACNA1I MTNR1A 334/4885MTNR1B 475/4885ALOX5 2631/4885
US-11229648-B2 1,4-disubstituted pyridazine analogs thereof and methods for treating SMN-deficiency-related conditions SMN1; SMN2, SF3B5, CLN6 MTNR1A 1651/4885MTNR1B 748/4885ALOX5 2132/4885
US-20220370616-A1 STABILIZED FORMULATIONS RNMT, NSUN2, POLN MTNR1A 3458/4885MTNR1B 3579/4885ALOX5 1621/4885
US-20220387428-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, SF3B5 MTNR1A 1491/4885MTNR1B 707/4885ALOX5 2350/4885
US-20210230155-A1 PROCESS FOR PREPARATION OF ((3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-2H-BENZO[A]QUINOLIZIN-2-ONE CYP4B1, CYP1B1, UGT1A3 MTNR1A 89/4885MTNR1B 35/4885ALOX5 2034/4885

“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.