SCHEMBL6279935

SCHEMBL6279935

OC(CCl)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.47
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
TSHR P16473 1/20 0.46
IDO1 P14902 1/20 0.43
KCNA5 P22460 1/20 0.42
CYP51A1 Q16850 2/20 0.42
TBXAS1 P24557 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL6574356 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL5479042 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6927973 0.98 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6574395 0.98 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6574385 0.98 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL25005917 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28927446 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL30273373 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28639757 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6372735 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289366-A1 FUNCTIONALIZED KETONE-ALDEHYDE CONDENSATION RESINS EVONIK DEGUSSA GMBH (DE) 2016-10-06 US claimed
EP-3075789-A1 FUNCTIONALISED KETONE ALDEHYDE CONDENSATION RESINS Evonik Degussa GmbH (DE) 2016-10-05 EP claimed
US-10113025-B2 Functionalized ketone-aldehyde condensation resins EVONIK DEGUSSA GMBH (DE) 2018-10-30 US disclosed
US-20160289366-A1 FUNCTIONALIZED KETONE-ALDEHYDE CONDENSATION RESINS EVONIK DEGUSSA GMBH (DE) 2016-10-06 US disclosed
EP-3075788-A1 FUNCTIONALIZED KETONE ALDEHYDE CONDENSATION RESINS Evonik Degussa GmbH (DE) 2016-10-05 EP disclosed
EP-3075789-A1 FUNCTIONALISED KETONE ALDEHYDE CONDENSATION RESINS Evonik Degussa GmbH (DE) 2016-10-05 EP disclosed
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
CN-1675180-A Indole, indazole, and benzazole derivative SUMITOMO PHARMA (JP) 2005-09-28 CN disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
US-20040265991-A1 Process for preparation of (s)-alpha-halomethylpyridine-methanol derivatives KANEKA CORPORATION (JP) 2004-12-30 US disclosed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
EP-1454899-A1 PROCESS FOR PREPARATION OF (S)-ALPHA-HALOME THYLPYRIDINE METHANOL DERIVATIVES KANEKA CORPORATION (JP) 2004-09-08 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
EP-0858340-A4 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 1999-12-29 EP disclosed
EP-0858340-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997016189-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1997-05-09 WO disclosed
US-5561142-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-10-01 US disclosed
US-5541197-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-07-30 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 (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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 SMN1; SMN2 1888/4885CFTR 2512/4885SLC6A2 181/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 SMN1; SMN2 1888/4885CFTR 2512/4885SLC6A2 181/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 SMN1; SMN2 1888/4885CFTR 2512/4885SLC6A2 181/4885

“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.