SCHEMBL3985133

SCHEMBL3985133

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCC(O)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.99

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 19/20 0.99
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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 SCHEMBL1729068 0.99 F2R (1.00) F2R
SCHEMBL14449180 0.98 F2R (0.94) F2RHTR2AHTR2CHTR2B
Bromide SCHEMBL1731038 0.97 F2R (0.96) F2R
Bromide SCHEMBL1731474 0.95 F2R (0.92) F2R
Bromide SCHEMBL1732299 0.93 F2R (0.88) F2R
SCHEMBL14449152 0.93 F2R (0.87) F2R
Trifluoroacetic Acid SCHEMBL1728712 0.92 F2R (0.85) F2R
Bromide SCHEMBL5487070 0.92 F2R (0.87) F2R
SCHEMBL13144389 0.92 F2R (0.86) F2R
Bromide SCHEMBL1730235 0.92 F2R (0.87) 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 21 patents — showing the first 20. 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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP 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
EP-2241315-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) 2010-10-20 EP 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-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
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
WO-2009058361-A1 INHIBITION OF TYPE I IFN PRODUCTION DYNAVAX TECHNOLOGIES CORP. (US) 2009-05-07 WO 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 (4 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 1/4885HTR2A 275/4885HTR2C 1913/4885
US-20070208016-A1 Composition Containing Benzamidine Derivative and Method For Stabilizing Benzamidine Derivative CMA1, DDC, GBA1 F2R 4361/4885HTR2A 2662/4885HTR2C 2622/4885
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 1051/4885HTR2A 316/4885HTR2C 416/4885
US-20080194559-A1 Remedy for Angiospasm Accompanying Subarachnoid Hemorrhage Containing Thrombin Receptor Antagonist as the Active Ingredient F2R, F2RL1, PLAT F2R 1/4885HTR2A 344/4885HTR2C 2103/4885

“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.