SCHEMBL1732138

SCHEMBL1732138

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCNCC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.98
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31

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
Hydrochloric Acid SCHEMBL1728751 0.99 F2R (1.00) F2RHTR1ADRD2DRD4HTR2A
SCHEMBL14449152 0.93 F2R (0.87) F2R
SCHEMBL13144389 0.92 F2R (0.86) F2R
Bromide SCHEMBL1730235 0.92 F2R (0.87) F2R
SCHEMBL13950221 0.92 F2R (0.85) F2R
SCHEMBL1732773 0.91 F2R (0.84) F2R
SCHEMBL13628887 0.91 F2R (0.88) F2R
Atopaxar SCHEMBL30175034 0.91 F2R (1.00) F2R
Atopaxar SCHEMBL1730339 0.91 F2R (1.00) F2R
SCHEMBL1730944 0.90 F2R (0.82) F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP claimed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP claimed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 EP claimed
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP claimed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP claimed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US claimed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US claimed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US claimed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 US claimed
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 US disclosed
US-8658620-B2 Pharmaceutical composition, use of 2-iminopyrrolidine derivative for production of pharmaceutical composition, and kit for treatment or amelioration of heart diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-02-25 US disclosed
EP-1614680-B1 Process for preparing 2-iminopyrrolidine derivatives EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
EP-1492780-B1 5-SUBSTITUTED 1,1-DIOXO-¬1,2,5 THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2011-11-23 EP disclosed
US-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-06 US disclosed
US-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-06 US disclosed
US-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-06 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1721610-A1 COMPOSITION CONTAINING BENZAMIDINE DERIVATIVE AND METHOD FOR STABILIZING BENZAMIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2006-11-15 EP disclosed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 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-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative CMA1, DDC, GBA1 F2R 4361/4885HTR1A 3247/4885DRD2 2216/4885
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives PTPRS, PTPRJ, IRS1 F2R 1740/4885HTR1A 1028/4885DRD2 3149/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 F2R 1941/4885HTR1A 1363/4885DRD2 4743/4885

“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.