SCHEMBL4181664

SCHEMBL4181664

CC[C@H](N)c1ccc(OC)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 1/20 0.39
OXTR P30559 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHRNA7 P36544 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL4168613 1.00 NNMT (0.42) NNMTSLC6A4KCNK3KCNK9OXTR
SCHEMBL498475 1.00 NNMT (0.42) NNMTSLC6A4KCNK3KCNK9OXTR
SCHEMBL4572837 0.86 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7TUBB4A
SCHEMBL14480161 0.84 NNMT (0.45) NNMTKCNK3KCNK9OXTRMKNK1
SCHEMBL998123 0.84 NNMT (0.45) NNMTKCNK3KCNK9OXTRMKNK1
SCHEMBL998124 0.84 NNMT (0.45) NNMTKCNK3KCNK9OXTRMKNK1
SCHEMBL19965687 0.81 NNMT (0.41) NNMTKCNK3KCNK9OXTRTUBB4A
SCHEMBL998349 0.81 NNMT (0.42) NNMTKCNK3OXTRMKNK1MKNK2
SCHEMBL998346 0.81 NNMT (0.42) NNMTKCNK3OXTRMKNK1MKNK2
SCHEMBL6061992 0.81 NNMT (0.47) NNMTMKNK1MKNK2CHRNA7TUBB4A

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-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-09 US disclosed
EP-2755970-B1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-03-30 EP disclosed
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2015-03-26 US disclosed
US-8912224-B2 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2014-12-16 US disclosed
EP-2567958-B1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI SA (FR) 2014-10-29 EP disclosed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US disclosed
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-14 US disclosed
EP-2567958-A1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2013-03-13 EP disclosed
US-20090209767-A1 2-(Butyl-1-sulfonylamino)-n-[1(R)-(6-methoxy-pyridin-3-yl)-propyl]-benzamid, the use thereof in the form of drug an pharmaceutical preparations containing said compound SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-20 US disclosed
US-20080081926-A1 SULFONYLAMINOBENZOIC ACID AND SALT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-03 US disclosed
US-20060142350-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-29 US disclosed
US-20040192738-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 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 (9 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-20060142350-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SCN1A, KCNH1, SCN1B NNMT 1700/4885SLC6A4 2866/4885KCNK3 84/4885
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 NNMT 4302/4885SLC6A4 161/4885KCNK3 294/4885
US-20080081926-A1 SULFONYLAMINOBENZOIC ACID AND SALT SLC5A1, SLC5A2, SLC1A5 NNMT 1459/4885SLC6A4 188/4885KCNK3 842/4885
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 NNMT 4312/4885SLC6A4 123/4885KCNK3 301/4885
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, RYR1 NNMT 4185/4885SLC6A4 159/4885KCNK3 288/4885
US-20090209767-A1 2-(Butyl-1-sulfonylamino)-n-[1(R)-(6-methoxy-pyridin-3-yl)-propyl]-benzamid, the use thereof in the form of drug an pharmaceutical preparations containing said compound KCNH1, KCNA1, SCN5A NNMT 1441/4885SLC6A4 2196/4885KCNK3 80/4885
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 NNMT 4302/4885SLC6A4 161/4885KCNK3 294/4885
US-20150087648-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 NNMT 4312/4885SLC6A4 123/4885KCNK3 301/4885
US-20040192738-A1 2-(Butyl-1-sulfonylamino)-N-[1(R)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it SCN1A, SCN1B, KCNH1 NNMT 1727/4885SLC6A4 3191/4885KCNK3 111/4885

“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.