SCHEMBL1265899

SCHEMBL1265899

NC1CCOC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOB P27338 11/20 0.42
KDM1A O60341 11/20 0.42
MAOA P21397 9/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL1265897 1.00 TSHR (0.48) TSHRMAOBKDM1AMAOACYP2C19
SCHEMBL14589045 1.00 TSHR (0.48) TSHRMAOBKDM1AMAOACYP2C19
SCHEMBL12926851 1.00 TSHR (0.48) TSHRMAOBKDM1AMAOACYP2C19
SCHEMBL1265896 1.00 TSHR (0.48) TSHRMAOBKDM1AMAOACYP2C19
SCHEMBL29847437 0.81 KDM1A (0.46) MAOBKDM1AMAOATAAR1SLC6A2
SCHEMBL16422768 0.81 KDM1A (0.46) MAOBKDM1ASLC6A2SLC6A3HTR2C
SCHEMBL16422767 0.81 KDM1A (0.46) MAOBKDM1ASLC6A2SLC6A3HTR2C
SCHEMBL16422783 0.81 KDM1A (0.46) MAOBKDM1ASLC6A2SLC6A3HTR2C
SCHEMBL1195857 0.81 TSHR (0.64) TSHRMAOBCYP2C19SLC6A2SLC6A3
SCHEMBL7971631 0.80 TSHR (0.64) TSHRMAOBKDM1AMAOACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212184-B1 SUBSTITUTED BENZOTETRAHYDROPYRANS AND THEIR USE ABBVIE OVERSEAS SARL (LU) 2020-04-01 EP disclosed
EP-3212184-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE Abbvie S.a.r.l. (LU) 2017-09-06 EP disclosed
US-9567322-B2 Substituted tetrahydropyrans and method of use ABBVIE S.Á.R.L. (LU) 2017-02-14 US disclosed
WO-2016069891-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
US-20160122331-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2016-05-05 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
CN-1823051-B Process for producing 4-aminotetrahydropyran compound and acid salt thereof, intermediate for synthesis thereof, and process for producing the same UBE INDUSTRIES 2010-07-07 CN disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-7365215-B2 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2008-04-29 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP disclosed
US-20070106083-A1 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2007-05-10 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
CN-1823051-A Process for producing 4-aminotetrahydropyran compound and acid salt thereof, intermediate for synthesis thereof, and process for producing the same UBE INDUSTRIES (JP) 2006-08-23 CN disclosed
EP-1661894-A1 PROCESS FOR PRODUCTION OF 4-AMINOTETRAHYDROPYRANS AND SALTS THEREOF WITH ACIDS, INTERMEDIATES FOR THE PROCESS, AND PROCESS FOR PRODUCTION THEREOF Ube Industries, Ltd. (JP) 2006-05-31 EP 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 (4 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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 TSHR 3899/4885MAOB 943/4885KDM1A 1830/4885
US-20070106083-A1 Process for preparing 4-aminotetrahydropyran compound and an acid salt thereof, synthetic intermediate thereof and process for preparing the same PAH, HPD, REN TSHR 3997/4885MAOB 1072/4885KDM1A 1487/4885
US-20160122331-A1 SUBSTITUTED TETRAHYDROPYRANS AND METHOD OF USE CFTR, MRPL21, TACR1 TSHR 285/4885MAOB 3077/4885KDM1A 4345/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 TSHR 3899/4885MAOB 943/4885KDM1A 1830/4885

“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.