SCHEMBL3979688

SCHEMBL3979688

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCN(CC#N)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.99

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.99
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
Bromide SCHEMBL1730399 0.99 F2R (1.00) F2RALDH1A1GAA
SCHEMBL13628887 0.93 F2R (0.88) F2RALDH1A1GAA
SCHEMBL1730720 0.91 F2R (0.99) F2RALDH1A1GAA
SCHEMBL14468855 0.91 F2R (0.82) F2RALDH1A1GAA
Hydrochloric Acid SCHEMBL1728724 0.91 F2R (1.00) F2RALDH1A1GAA
SCHEMBL13950221 0.91 F2R (0.85) F2R
SCHEMBL14449152 0.91 F2R (0.87) F2RGAA
SCHEMBL13038490 0.90 F2R (0.85) F2RALDH1A1GAA
SCHEMBL13637742 0.90 F2R (0.83) F2RALDH1A1GAA
SCHEMBL9989475 0.90 F2R (0.85) F2RALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100286087-A1 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) 2010-11-11 US disclosed
US-20100286087-A1 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) 2010-11-11 US disclosed
US-20100063048-A1 Remedy for angiospasm accompanying subarachnoid hemorrhage containing thrombin receptor antagonist as the active ingredient Eisai R&D Mangement Co., Ltd. (JP) 2010-03-11 US disclosed
US-7612066-B2 Composition containing benzamidine derivative and method for stabilizing benzamidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612066-B2 Composition containing benzamidine derivative and method for stabilizing benzamidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612066-B2 Composition containing benzamidine derivative and method for stabilizing benzamidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
EP-1721610-B1 COMPOSITION CONTAINING BENZAMIDINE DERIVATIVE AND METHOD FOR STABILIZING BENZAMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-05-13 EP disclosed
EP-1721610-B1 COMPOSITION CONTAINING BENZAMIDINE DERIVATIVE AND METHOD FOR STABILIZING BENZAMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-05-13 EP disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
US-20080194559-A1 Remedy for Angiospasm Accompanying Subarachnoid Hemorrhage Containing Thrombin Receptor Antagonist as the Active Ingredient EISAI R.& D MANAGMENT CO., LTD. (JP) 2008-08-14 US disclosed
US-20080194559-A1 Remedy for Angiospasm Accompanying Subarachnoid Hemorrhage Containing Thrombin Receptor Antagonist as the Active Ingredient EISAI R.& D MANAGMENT CO., LTD. (JP) 2008-08-14 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100063048-A1 Remedy for angiospasm accompanying subarachnoid hemorrhage containing thrombin receptor antagonist as the active ingredient F2R, F2RL1, PLAT F2R 1/4885ALDH1A1 3097/4885GAA 2143/4885
US-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative CMA1, DDC, GBA1 F2R 4361/4885ALDH1A1 467/4885GAA 44/4885
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 F2R 8/4885ALDH1A1 2037/4885GAA 3197/4885
US-20100286087-A1 PHARMACEUTICAL COMPOSITION, USE OF 2-IMINOPYRROLIDINE DERIVATIVE FOR PRODUCTION OF PHARMACEUTICAL COMPOSITION, AND KIT FOR TREATMENT OR AMELIORATION OF HEART DISEASES KIT, TNNT2, TNNI3 F2R 1051/4885ALDH1A1 535/4885GAA 1429/4885
US-20080194559-A1 Remedy for Angiospasm Accompanying Subarachnoid Hemorrhage Containing Thrombin Receptor Antagonist as the Active Ingredient F2R, F2RL1, PLAT F2R 1/4885ALDH1A1 3088/4885GAA 2406/4885

“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.