SCHEMBL3679647

SCHEMBL3679647

c1cc2occc2c(N2CCN3CCCCC3C2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 9/20 0.42
HTR2A P28223 9/20 0.42
DRD3 P35462 9/20 0.42
HRH1 P35367 1/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL3678732 0.96 HTR2C (0.52) HTR2CHRH4DRD2HTR2ADRD3
SCHEMBL3685191 0.96 HTR2C (0.52) HTR2CHRH4DRD2HTR2ADRD3
SCHEMBL3680126 0.80 HRH3 (0.45) HRH4HRH3HRH1
SCHEMBL3682748 0.79 HTR2C (0.50) HTR2CDRD2HTR2ADRD3
SCHEMBL15971536 0.78 HTR2C (0.73) HTR2CDRD2HTR2ADRD3CNR2
SCHEMBL3683432 0.77 HRH4 (0.52) HRH4HRH3HRH1
SCHEMBL3686270 0.77 HTR2C (0.52) HTR2CHRH3DRD2HTR2ADRD3
SCHEMBL15971496 0.76 HTR2C (0.71) HTR2CDRD2HTR2ADRD3CNR2
SCHEMBL3683639 0.76 HRH4 (0.47) HRH4HRH3
SCHEMBL3685093 0.76 HRH4 (0.47) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US claimed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7807735-B2 mixing lignocellulosic material with a phenolic resin binder, adding to the mixture an emulsion of nonsaponified and saponified wax, an alkyl phenol component containing C20-C42 alkyl group; a polynaphthalenesulfonic salt as dispersant/surfactant and water; solidification; dimensionally stable HEXION SPECIALTY CHEMICALS, INC. (US) 2010-10-05 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090272292-A1 mixing lignocellulosic material with a phenolic resin binder, adding to the mixture an emulsion of nonsaponified and saponified wax, an alkyl phenol component containing C20-C42 alkyl group; a polynaphthalenesulfonic salt as dispersant/surfactant and water; solidification; dimensionally stable HEXION SPECIALTY CHEMICALS, INC. 2009-11-05 US disclosed
US-7563826-B2 Wax component comprising nonsaponifiable wax and saponified wax, alkyl phenol, dispersant/surfactant, carboxymethylcellulose component, and water; water resistance HEXION SPECIALTY CHEMICALS, INC. (US) 2009-07-21 US disclosed
US-7294189-B2 Wax emulsion preservative compositions and method of manufacture HEXION SPECIALTY CHEMICALS, INC. (US) 2007-11-13 US disclosed
US-20060071196-A1 Method of wood treatment and solution provided therefore ECOTREAT, INC. 2006-04-06 US disclosed
EP-1599547-A4 EMULSIONS FOR LIGNOCELLULOSIC PRODUCTS, METHODS OF THEIR MANUFACTURE, IMPROVED LIGNOCELLULOSIC PRODUCTS AND METHODS FOR THEIR MANUFACTURE HEXION SPECIALTY CHEMICALS INC (US) 2006-01-18 EP disclosed
US-20060009535-A1 Wax emulsion preservative compositions and method of manufacture HEXION INC. (FORMERLY KNOWN AS MOMENTIVE SPECIALTY CHEMICALS INC.) 2006-01-12 US disclosed
EP-1599547-A2 EMULSIONS FOR LIGNOCELLULOSIC PRODUCTS, METHODS OF THEIR MANUFACTURE, IMPROVED LIGNOCELLULOSIC PRODUCTS AND METHODS FOR THEIR MANUFACTURE Hexion Specialty Chemicals, Inc. (US) 2005-11-30 EP disclosed
EP-1273403-B1 Preservation of wood products ROHM & HAAS (US) 2005-08-31 EP disclosed
WO-2005039841-A2 EMULSIONS FOR LIGNOCELLULOSIC PRODUCTS, METHODS OF THEIR MANUFACTURE, IMPROVED LIGNOCELLULOSIC PRODUCTS AND METHODS FOR THEIR MANUFACTURE BORDEN CHEMICAL, INC. (US) 2005-05-06 WO disclosed
US-6753016-B2 CONTACTING WOOD MATERIAL WITH AN AQUEOUS TREATMENT SOLUTION COMPRISING AN IRON SALT AND AN OXIDANT TO PROVIDE IMPREGNATED WOOD MATERIAL; AND SEPARATING THE IMPREGNATED WOOD MATERIAL FROM THE AQUEOUS TREATMENT SOLUTION ROHM AND HAAS COMPANY 2004-06-22 US disclosed
US-20030086979-A1 Preservation of wood products ROHM AND HAAS COMPANY 2003-05-08 US disclosed
EP-1273403-A1 Preservation of wood products ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
EP-0922386-A2 Controlled release compositions ROHM AND HAAS COMPANY (US) 1999-06-16 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 (1 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-20030086979-A1 Preservation of wood products SOD1, SOD3, AOC1 HTR2C 4045/4885HRH4 994/4885HRH3 853/4885

“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.